SCHEMBL9831014

SCHEMBL9831014

CCOC(=O)CCNc1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.53
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NLRP3 Q96P20 1/20 0.47
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9829339 0.88 MAPT (0.51) TOP2AHTTALDH1A1GAAMEN1
SCHEMBL3005632 0.86 TDP1 (0.49) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL15551545 0.84 HTT (0.58) HTTALDH1A1GAATSHRMEN1
SCHEMBL31376456 0.84 HTT (0.58) HTTALDH1A1GAATSHRMEN1
SCHEMBL9830404 0.84 MAPT (0.56) TOP2AHTTALDH1A1GAANLRP3
SCHEMBL9831365 0.82 MEN1 (0.52) TOP2AALDH1A1GAAMEN1KMT2A
SCHEMBL9833523 0.82 MAPT (0.51) TOP2AALDH1A1GAAMEN1KMT2A
SCHEMBL9829544 0.82 TOP2A (0.53) TOP2AALDH1A1KMT2ANLRP3MAPT
SCHEMBL9832645 0.82 GAA (0.56) TOP2AHTTALDH1A1GAATSHR
SCHEMBL9829793 0.82 TOP2A (0.53) TOP2AALDH1A1TSHRMEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
CN-117224537-A Application of 2-fludarifenacin chlorine-containing derivative in preparation of medicines for inhibiting and treating colon cancer 浙江广厦建设职业技术大学 2023-12-15 CN disclosed
CN-108047090-B Aniline hydroxamic acid urease inhibitor and preparation method and application thereof 吉首大学 2020-09-18 CN disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
WO-2015083130-A1 FUSED PYRIDINE AND PYRIMIDINE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-11 WO disclosed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed