SCHEMBL9831365

SCHEMBL9831365

CCOC(=O)CCNc1cc(Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
GAA P10253 6/20 0.48
MAPT P10636 5/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.46
TOP2A P11388 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BCL6 P41182 1/20 0.44
BCOR Q6W2J9 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
SCHEMBL9833523 0.89 MAPT (0.51) MEN1KMT2AHPGDTDP1GAA
SCHEMBL9832539 0.84 BCL6 (0.46) MEN1KMT2AHPGDTDP1GAA
SCHEMBL15415957 0.83 PTGER4 (0.50) MEN1KMT2AHPGDTDP1GAA
SCHEMBL9831014 0.82 TOP2A (0.53) MEN1KMT2ATDP1GAAMAPT
SCHEMBL6960277 0.79 MAPT (0.66) TDP1MAPTPOLBALDH1A1KDM4E
SCHEMBL658049 0.79 MAPT (0.59) MEN1KMT2AHPGDTDP1GAA
SCHEMBL11793898 0.79 TDP1 (0.66) MEN1KMT2AHPGDTDP1GAA
SCHEMBL3037330 0.78 ALDH1A1 (0.50) KMT2AHPGDMAPTPOLBALDH1A1
SCHEMBL9829293 0.78 ABCB1 (0.51) MEN1KMT2AHPGDTDP1GAA
SCHEMBL9829339 0.77 MAPT (0.51) MEN1KMT2AGAAMAPTPOLB

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