SCHEMBL14304298

SCHEMBL14304298

O=C(c1cccnc1)c1cc(F)c(F)cc1N[S+]([O-])c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 3/20 0.41
▸ TSHR P16473 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ RAF1 P04049 2/20 0.38
▸ VNN1 O95497 1/20 0.36
▸ CSF1R P07333 2/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3091955 0.80 TSHR (0.60) CCR9TSHRNAMPTCCR2
SCHEMBL342853 0.67 F7 (0.50) KMT2AL3MBTL1ALDH1A1
SCHEMBL28254180 0.67 CSF1R (0.55) CCR9TSHRKMT2ANAMPTVNN1
SCHEMBL14303626 0.67 CYP3A4 (0.44) KMT2ACCR2ALDH1A1
SCHEMBL305766 0.65 GPR27 (0.46) BRAFKMT2ARAF1RAB9AALDH1A1
SCHEMBL19336563 0.65 CCR2 (0.46) CCR2
SCHEMBL9602320 0.65 ALDH1A1 (0.51) TSHRKMT2AALDH1A1
SCHEMBL307594 0.65 CYP2C9 (0.62) CCR9TSHRCCR2
SCHEMBL344999 0.64 CCR9 (0.62) CCR9KMT2AL3MBTL1ALDH1A1
SCHEMBL19415750 0.64 CCR2 (0.48) TSHRKMT2ACCR2ALDH1A1

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-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO disclosed
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