SCHEMBL10690932

SCHEMBL10690932

COc1cccc(C=Cc2nc3cccc(C(=O)O)c3[nH]2)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ CSK P41240 1/20 0.51
▸ BTK Q06187 1/20 0.51
▸ PTK6 Q13882 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NFE2L2 Q16236 3/20 0.48
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 1/20 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
SCHEMBL10687236 0.93 ABL1 (0.46) ABL1LCKLYNSRCCSK
SCHEMBL10688458 0.91 ABL1 (0.62) ABL1LCKLYNSRCCSK
Phosphoric Acid SCHEMBL10687005 0.89 ABL1 (0.43) ABL1LCKLYNSRCCSK
SCHEMBL10683980 0.88 KDM4E (0.46) ABL1LCKLYNSRCCSK
SCHEMBL10684960 0.84 KMT2A (0.62) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL10689525 0.83 CYP1A1 (0.48) ABL1LCKLYNSRCCSK
SCHEMBL10687513 0.83 MEN1 (0.50) ABL1LCKLYNSRCCSK
SCHEMBL10690922 0.82 DHODH (0.49) ABL1LCKLYNSRCCSK
SCHEMBL10687598 0.80 KMT2A (0.53) KDM4ENPC1RAB9AKMT2AMAPT
Bromide SCHEMBL10687727 0.79 KMT2A (0.52) KDM4ENPC1RAB9AKMT2AMAPT

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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