SCHEMBL9832074

SCHEMBL9832074

CCOC(=O)C1CN(c2cccc(Br)c2Br)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TLR4 O00206 1/20 0.34

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
SCHEMBL9830727 0.90 KMT2A (0.42) KMT2AMEN1MAPTCHRM2CHRM4
SCHEMBL9830192 0.83 MAPT (0.54) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL9830654 0.83 ALDH1A1 (0.41) KMT2AMEN1MAPTCHRM2CHRM4
SCHEMBL9830882 0.81 ALDH1A1 (0.41) KMT2AMEN1MAPTCHRM2CHRM4
SCHEMBL9831965 0.81 HPGD (0.46) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL9829579 0.81 ALDH1A1 (0.46) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL9832166 0.81 KDM4E (0.40) KMT2AMEN1MAPTCHRM2CHRM4
SCHEMBL9831751 0.81 TDP2 (0.40) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL9828691 0.81 OPRK1 (0.40) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL9832857 0.81 ALDH1A1 (0.53) KMT2AMEN1MAPTHPGDALDH1A1

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