SCHEMBL9830191

SCHEMBL9830191

Brc1cc(Br)cc(N2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHKA P35790 1/20 0.41
TERT O14746 3/20 0.39
ALDH1A1 P00352 7/20 0.38
MAPT P10636 6/20 0.38
KMT2A Q03164 6/20 0.38
ALOX15 P16050 5/20 0.38
MEN1 O00255 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 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
SCHEMBL26448103 0.97 CHRNB2 (0.44) CHRNB2CHRNA4CHKATERTALDH1A1
SCHEMBL18278244 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHKAALDH1A1MAPT
SCHEMBL2278389 0.84 KMT2A (0.41) CHRNB2CHRNA4CHKAALDH1A1MAPT
SCHEMBL24269907 0.84 ALDH1A1 (0.45) CHRNB2CHRNA4CHKATERTALDH1A1
SCHEMBL12496993 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHKATERTALDH1A1
SCHEMBL15094990 0.83 MAPT (0.41) CHRNB2CHRNA4TERTALDH1A1MAPT
SCHEMBL24269959 0.81 KDM4E (0.44) CHRNB2CHRNA4ALDH1A1MAPTKMT2A
SCHEMBL29346310 0.80 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1MAPTL3MBTL1
SCHEMBL24270110 0.80 CHRNB2 (0.37) CHRNB2CHRNA4CHKATERTALDH1A1
SCHEMBL3759138 0.80 DRD2 (0.41) CHRNB2CHRNA4ALDH1A1MAPTKMT2A

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 2 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