SCHEMBL9830404

SCHEMBL9830404

CCOC(=O)CCNc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
TOP2A P11388 2/20 0.56
GAA P10253 2/20 0.51
DHODH Q02127 1/20 0.50
NLRP3 Q96P20 1/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL9830253 0.88 NLRP3 (0.59) MAPTHTTTOP2AGAANLRP3
SCHEMBL13948837 0.87 MAPT (0.60) MAPTHTTGAAALDH1A1LMNA
SCHEMBL9832645 0.84 GAA (0.56) HTTTOP2AGAAALDH1A1SMN1; SMN2
SCHEMBL28450779 0.84 TOP2A (0.53) MAPTTOP2ACYP4F2CYP4A11ALDH1A1
SCHEMBL9829793 0.84 TOP2A (0.53) MAPTTOP2ANLRP3CYP4F2CYP4A11
SCHEMBL9829544 0.84 TOP2A (0.53) MAPTTOP2ANLRP3CYP4F2CYP4A11
SCHEMBL9831014 0.84 TOP2A (0.53) MAPTHTTTOP2AGAANLRP3
SCHEMBL5786263 0.83 GAA (0.54) MAPTHTTGAADHODHNLRP3
SCHEMBL9829332 0.83 GAA (0.57) TOP2AGAALMNAKDM4E
SCHEMBL11428717 0.83 TSHR (0.57) HTTTOP2AALDH1A1LMNAKDM4E

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 5 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
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