SCHEMBL6618286

SCHEMBL6618286

Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4cccs4)cc3O)cc2C2CCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KISS1R Q969F8 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL6617884 0.98 ACKR3 (0.42) ACKR3KCNK3KCNK9BCHEABL1
SCHEMBL6618436 0.92 RAB9A (0.43) ACKR3BCHEABL1KISS1RMAPK14
SCHEMBL6618879 0.91 SMN1; SMN2 (0.43) ACKR3BCHEKISS1RMAPK14KMT2A
SCHEMBL6616601 0.90 ACKR3 (0.48) ACKR3KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL6620870 0.88 MAPT (0.43) ACKR3KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL6646084 0.88 ACKR3 (0.41) ACKR3BCHEABL1KISS1RKMT2A
SCHEMBL6616301 0.87 ALDH1A1 (0.48) ABL1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL6617168 0.87 MAPK14 (0.41) ACKR3BCHEMAPK14KMT2ARAB9A
SCHEMBL6617986 0.86 MAPT (0.43) ACKR3KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL6618494 0.86 ACKR3 (0.41) ACKR3BCHEKISS1RKMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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