SCHEMBL9832178

SCHEMBL9832178

CCOC(=O)CCNc1ccc(C)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
NLRP3 Q96P20 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
TOP2A P11388 1/20 0.47
GAA P10253 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.44

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
SCHEMBL139176 0.91 SMN1; SMN2 (0.57) SMN1; SMN2NLRP3CYP1A2CYP2C9CYP2C19
SCHEMBL9831653 0.88 NLRP3 (0.61) SMN1; SMN2NLRP3CYP1A2CYP2C9CYP2C19
SCHEMBL4824607 0.85 MAPT (0.45) SMN1; SMN2NLRP3CYP1A2CYP2C9CYP2C19
SCHEMBL29264328 0.85 MAPT (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9830404 0.81 MAPT (0.56) SMN1; SMN2NLRP3ALDH1A1HTTMAPT
SCHEMBL15483670 0.81 MAPT (0.48) SMN1; SMN2NLRP3CYP1A2CYP2C9CYP2C19
SCHEMBL6253809 0.81 MAPT (0.72) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6954918 0.81 MAPT (0.69) SMN1; SMN2CYP1A2CYP2C9ALDH1A1KMT2A
SCHEMBL9829734 0.80 NLRP3 (0.56) SMN1; SMN2NLRP3ALDH1A1LMNATOP2A
SCHEMBL20836515 0.79 MAPT (0.50) SMN1; SMN2ALDH1A1HTTMEN1KMT2A

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 3 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 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