SCHEMBL9830102

SCHEMBL9830102

CCOC(=O)CCNc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.45
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
BCL6 P41182 1/20 0.41
BCOR Q6W2J9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KAT2B Q92831 1/20 0.40
PLAU P00749 2/20 0.40
ALOX15 P16050 1/20 0.39
NLRP3 Q96P20 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL8880107 0.86 L3MBTL1 (0.46) TOP2AALDH1A1MAPTBCL6BCOR
SCHEMBL3037330 0.85 ALDH1A1 (0.50) TOP2AALDH1A1MAPTBCL6BCOR
SCHEMBL27943015 0.82 MAPT (0.58) ALDH1A1MAPTALOX15
SCHEMBL9830011 0.82 L3MBTL1 (0.43) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL16302283 0.82 TOP2A (0.48) TOP2AALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL4865806 0.82 TOP2A (0.48) TOP2AALDH1A1MAPTNLRP3MGAM
SCHEMBL9830975 0.81 TOP2A (0.47) TOP2AALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL9832154 0.79 CYP1A2 (0.46) TOP2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL658049 0.79 MAPT (0.59) TOP2AALDH1A1MAPTL3MBTL1GAA
SCHEMBL9830974 0.79 TOP2A (0.46) TOP2AALDH1A1MAPTCYP1A2NLRP3

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 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
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