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SCHEMBL8515286

SCHEMBL8515286

CC(C)Oc1ccc(-c2ccnc(N3CCN(CC(N)C(CN(C)C)N4CCN(c5nccc(-c6ccc(OC(C)C)c(C(C)(C)C)c6)n5)CC4)CC3)n2)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.35
▸ KMO O15229 1/20 0.33
▸ DKK1 O94907 2/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ SORD Q00796 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.30

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
SCHEMBL9612650 0.83 CARM1 (0.41) KMODKK1CTSSCTSKSORD
SCHEMBL8536754 0.81 DKK1 (0.40) KMODKK1CTSSCTSKSORD
SCHEMBL8515288 0.81 CARM1 (0.39) KMODKK1CTSSCTSK
SCHEMBL8515329 0.79 ACHE (0.41) KMODKK1CTSSCTSKSORD
SCHEMBL8510840 0.77 KMO (0.43) USP2KMODKK1SORD
SCHEMBL8514539 0.77 KMO (0.45) KMODKK1CTSSCTSKSORD
SCHEMBL8512439 0.76 DKK1 (0.56) KMODKK1ROCK2SORD
SCHEMBL8511790 0.76 ROCK2 (0.41) KMODKK1ROCK2KMT2ATBK1
SCHEMBL8511678 0.76 DKK1 (0.58) KMODKK1ROCK2ROCK1SORD
SCHEMBL8514120 0.76 KMO (0.40) KMODKK1SORD

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 — — WO claimed