SCHEMBL9868488

SCHEMBL9868488

CC(C(=O)O)c1cc2ccccc2n1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.57
DAO P14920 2/20 0.49
KMT2A Q03164 3/20 0.47
PHGDH O43175 1/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
CA9 Q16790 1/20 0.46
KAT2B Q92831 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
SLC9A1 P19634 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL27852170 0.90 MCL1 (0.57) MCL1DAOKMT2APHGDHCA12
SCHEMBL6188130 0.84 MCL1 (0.51) MCL1DAOKMT2APHGDHSLC9A1
SCHEMBL21807358 0.83 MCL1 (0.57) MCL1DAOKMT2APHGDHCA12
SCHEMBL31291305 0.80 MCL1 (0.53) MCL1DAOKMT2APHGDHCA12
SCHEMBL11600616 0.80 MCL1 (0.53) MCL1DAOKMT2APHGDHCA12
SCHEMBL9887744 0.80 KMT2A (0.55) MCL1DAOKMT2APHGDHCA12
SCHEMBL9565143 0.77 KMT2A (0.52) MCL1DAOKMT2ACA12BRD4
SCHEMBL20746874 0.77 KMT2A (0.52) MCL1DAOKMT2APHGDHCA12
SCHEMBL18358089 0.76 MCL1 (0.50) MCL1DAOKMT2APHGDHSLC9A1
SCHEMBL27852172 0.76 MCL1 (0.49) MCL1DAOKMT2APHGDHCA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed