SCHEMBL13838459

SCHEMBL13838459

C=C(/C=C(/C)ON)Oc1ccc(CC)c(-c2ccc(NC(=O)c3cnccc3C)nc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.36
▸ ABCC1 P33527 2/20 0.36
▸ PORCN Q9H237 2/20 0.35
▸ ABL1 P00519 5/20 0.33
▸ STIM1 Q13586 1/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAP4K1 Q92918 3/20 0.33

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
SCHEMBL13838527 0.90 IL2 (0.36) ABL1MAP4K1
SCHEMBL13838609 0.80 — —
SCHEMBL15793607 0.76 RAB9A (0.39) ABCB1ABCC1NPC1TP53GAA
SCHEMBL13728018 0.74 DYRK1A (0.49) MAP4K1
SCHEMBL13838352 0.71 WNT1 (0.43) ABCB1ABCC1ABL1MAP4K1
SCHEMBL18670930 0.71 RAB9A (0.43) STIM1ORAI1NPC1MITFTP53
SCHEMBL13838416 0.71 PORCN (0.44) ABCB1ABCC1PORCNNPC1RAB9A
SCHEMBL13728434 0.69 ABL1 (0.46) ABCB1ABCC1ABL1
SCHEMBL13727611 0.69 IL2 (0.41) ABL1NPC1RAB9A
SCHEMBL13838462 0.68 ABL1 (0.44) ABCB1ABCC1ABL1NPC1TP53

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
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — WO disclosed
Send feedback