SCHEMBL9830727

SCHEMBL9830727

CCOC(=O)C1CN(c2ccccc2Br)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 3/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36

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
SCHEMBL9832074 0.90 KMT2A (0.38) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL9830654 0.87 ALDH1A1 (0.41) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL9831751 0.85 TDP2 (0.40) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL9828691 0.85 OPRK1 (0.40) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL9830476 0.85 HTT (0.45) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL9832857 0.85 ALDH1A1 (0.53) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL9831628 0.84 HPGD (0.56) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL9830882 0.84 ALDH1A1 (0.41) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL9830192 0.82 MAPT (0.54) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL9829085 0.82 ALDH1A1 (0.46) KMT2AMEN1CHRM2CHRM4CHRM5

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