SCHEMBL3002

SCHEMBL3002

[c]1n[nH]c2ccc3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
HPRT1 P00492 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
KIF11 P52732 1/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3079936 0.79 BCHE (0.40) ALDH1A1HSD17B10TSHRTDP1NPC1
SCHEMBL8773802 0.70 KDM4E (0.37) ALDH1A1HSD17B10TSHRTDP1NPC1
SCHEMBL5230803 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4599897 0.67 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL315924 0.66 KDM4E (0.50) ALDH1A1HSD17B10TSHRRAB9ANPC1
SCHEMBL2353932 0.64 METAP2 (0.47) ALDH1A1HSD17B10CYP2A6RAB9ANPC1
SCHEMBL395374 0.64 GAA (0.33) ALDH1A1HSD17B10TSHRTDP1RAB9A
SCHEMBL276443 0.64 IDO1 (0.54) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL555502 0.64 CYP1A2 (0.44) ALDH1A1HSD17B10TDP1RAB9ANPC1
SCHEMBL558395 0.64 NOS1 (0.42) ALDH1A1CYP2A6TSHRRAB9ANPC1

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

Appears in 3587 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108717-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-05-31 CN claimed
CN-117843569-A Isoquinoline acrylamide CDK8 inhibitor, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-04-09 CN claimed
CN-117143084-A Benzotriphenylene derivative, application thereof and organic electroluminescent device comprising benzotriphenylene derivative 北京鼎材科技有限公司 2023-12-01 CN claimed
CN-116854597-A Organic compound and application thereof 北京鼎材科技有限公司 2023-10-10 CN claimed
CN-116854598-A Organic compound and application thereof 北京鼎材科技有限公司 2023-10-10 CN claimed
CN-116178177-A Compound and application thereof, and organic electroluminescent device comprising compound 北京鼎材科技有限公司 2023-05-30 CN claimed
CN-116102496-A Novel seven-membered heterocyclic compound, application thereof and organic electroluminescent device comprising novel seven-membered heterocyclic compound 合肥鼎材科技有限公司 2023-05-12 CN claimed
US-RE47740-E1 Aminopyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS INC. (US) 2019-11-26 US claimed
EP-2855508-B1 CYCLOSPORIN A ANALOGS ALLERGAN INC (US) 2018-02-14 EP claimed
EP-2376447-B1 DIPEPTIDYL PEPTIDASE IV INHIBITORS ORCHID PHARMA LTD (IN) 2017-08-09 EP claimed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 WO claimed
WO-1997014679-A2 METHOD OF DETECTING CYCLOOXYGENASE-2 G.D. SEARLE & CO. (US) 1997-04-24 WO claimed
EP-0285176-B1 Silver halide color photographic material FUJI PHOTO FILM CO LTD (JP) 1994-06-08 EP claimed
US-5118597-A Sharpness, grainness, color reproduction FUJI PHOTO FILM CO., LTD. (JP) 1992-06-02 US claimed
US-4948716-A CONTAINING DEVELOPMENT INHIBITOR FUJI PHOTO FILM CO., LTD. (JP) 1990-08-14 US claimed
US-4933989-A Excellent color reproduction; sharpness FUJI PHOTO FILM CO. 1990-06-12 US claimed
US-4873179-A MOLD RESISTANCE; ANTISOILANTS; COLORFASTNESS; RELEASE OF DEVELOPMENT INHIBITOR FUJI PHOTO FILM CO., LTD. (JP) 1989-10-10 US claimed
US-4824772-A COLOR PHOTOGRAPHY; SHARP IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1989-04-25 US claimed
EP-0285176-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-05 EP claimed
US-4737451-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1988-04-12 US claimed