SCHEMBL10688458

SCHEMBL10688458

COc1ccccc1C=Cc1nc2cccc(C(=O)O)c2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.62
▸ LCK P06239 1/20 0.62
▸ LYN P07948 1/20 0.62
▸ SRC P12931 1/20 0.62
▸ CSK P41240 1/20 0.62
▸ BTK Q06187 1/20 0.62
▸ PTK6 Q13882 1/20 0.62
▸ TRPA1 O75762 2/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44

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
SCHEMBL10690932 0.91 ABL1 (0.51) ABL1LCKLYNSRCCSK
SCHEMBL10689525 0.88 CYP1A1 (0.48) ABL1LCKLYNSRCCSK
SCHEMBL10687513 0.87 MEN1 (0.50) ABL1LCKLYNSRCCSK
SCHEMBL10687236 0.86 ABL1 (0.46) ABL1LCKLYNSRCCSK
SCHEMBL10683980 0.84 KDM4E (0.46) ABL1LCKLYNSRCCSK
Phosphoric Acid SCHEMBL10687005 0.83 ABL1 (0.43) ABL1LCKLYNSRCCSK
SCHEMBL10687598 0.82 KMT2A (0.53) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10684960 0.82 KMT2A (0.62) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL10688446 0.81 DHODH (0.54) ABL1LCKLYNSRCCSK
Bromide SCHEMBL10687727 0.81 KMT2A (0.52) ALDH1A1MAPTKMT2AMEN1MAPK1

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-4769384-A ANTIULCER AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1988-09-06 — — US disclosed
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