SCHEMBL224748

SCHEMBL224748

O=Cc1nncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ GOT1 P17174 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MPO P05164 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ ACOX1 Q15067 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
1-Pentanol SCHEMBL28251154 0.82 EGFR (0.42) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL30827215 0.81 NPC1 (0.44) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL6008542 0.80 NPC1 (0.47) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL5436460 0.80 NPC1 (0.47) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL291352 0.80 NPC1 (0.47) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL30662856 0.77 ERN1 (0.45) LMNAKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL8152019 0.77 NPC1 (0.44) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL7547757 0.77 NPC1 (0.44) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL27603097 0.76 PLAU (0.36) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL29982208 0.75 S100A4 (0.41) NPC1RAB9ALMNAKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 195 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563080-A Preparation method of olaparib 台湾神隆股份有限公司 2019-04-02 — — CN claimed
CN-109415345-A Broad spectrum influenza inhibitor based on pyridazinone 豪夫迈·罗氏有限公司 2019-03-01 — — CN claimed
CN-108164468-A A kind of PARP inhibitor, its pharmaceutical composition, preparation method and application 上海卫岑医药科技有限公司 2018-06-15 — — CN claimed
CN-105143215-B Bruton's tyrosine kinase inhibitors 豪夫迈·罗氏有限公司 2017-12-08 — — CN claimed
CN-107428762-A Phthalazinone derivatives, preparation method and the usage 四川科伦博泰生物医药股份有限公司 2017-12-01 — — CN claimed
CN-104662018-B Substituted Heterobicyclic compounds, composition and its medical applications 阿迪维纳斯治疗有限公司 2017-10-24 — — CN claimed
CN-107207504-A Phthalazinone derivatives, preparation method and the usage 四川科伦博泰生物医药股份有限公司 2017-09-26 — — CN claimed
CN-105073741-B Phthalazinones and isoquinolinones as ROCK inhibitors 百时美施贵宝公司 2017-08-08 — — CN claimed
CN-105026386-B Antiviral compound 弗·哈夫曼-拉罗切有限公司 2017-08-01 — — CN claimed
CN-104812746-B Bruton's tyrosine kinase inhibitors 弗·哈夫曼-拉罗切有限公司 2017-03-08 — — CN claimed
CN-102227409-B Pyridine-3-carboxyamide derivative KOWA CO 2014-03-26 — — CN claimed
CN-102219903-B Polybenzoxazole copolymer with phthalazinone terphenyl structure and preparation method thereof UNIV DALIAN TECH 2013-06-19 — — CN claimed
CN-102869258-A Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) for the treatment of PTEN gene deficiency related diseases BIOMARIN PHARM INC 2013-01-09 — — CN claimed
CN-102180909-A Iridium complex phosphor material taking phthalazine derivative as ligand and preparation method thereof UNIV NANJING POSTS & TELECOMM 2011-09-14 — — CN claimed
CN-102171214-A Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) BIOMARIN PHARM INC 2011-08-31 — — CN claimed
CN-1720245-A Oxime ester photoinitiators with heteroaryl groups CIBA SC HOLDING AG (CH) 2006-01-11 — — CN claimed
CN-1103866-A Nes pesticides RHONE POULENC AGRICULTURE (GB) 1995-06-21 — — CN claimed
US-4367173-A POLYVINYL CHLORIDE, POLYETHYLENE BASF AKTIENGESELLSCHAFT (DE) 1983-01-04 — — US claimed
EP-4511128-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF Kumquat Biosciences Inc. (US) 2025-02-26 — — EP disclosed
EP-0086438-A1 Process and intermediates for preparing 4-hydroxymethyl-1-phthalazone derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1983-08-24 — — EP disclosed
Send feedback