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SCHEMBL6620292

SCHEMBL6620292

CC(C)C(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1.CC(C)C(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1.COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)C(C)C)cc3O)cc2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.40
▸ DRD2 P14416 5/20 0.40
▸ ADRA1A P35348 3/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ SSTR3 P32745 2/20 0.36

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
SCHEMBL6615797 0.88 DRD2 (0.43) DRD2ADRA1ACNR1ALDH1A1MEN1
SCHEMBL6622840 0.88 PTGES (0.42) PTGESDRD2ADRA1A
SCHEMBL6619639 0.86 DRD2 (0.43) DRD2ADRA1AALDH1A1MEN1MAPT
SCHEMBL6618824 0.86 HRH3 (0.41) PTGESDRD2ADRA1A
SCHEMBL6617100 0.86 NPC1 (0.40) DRD2ADRA1AALDH1A1MEN1MAPT
SCHEMBL6616711 0.84 NPC1 (0.40) DRD2ADRA1AALDH1A1MEN1MAPT
SCHEMBL6621562 0.82 CNR1 (0.39) DRD2ADRA1ACNR1MAPTLMNA
SCHEMBL6617920 0.82 KMT2A (0.40) DRD2ADRA1AALDH1A1MEN1MAPT
SCHEMBL6617239 0.81 CNR1 (0.40) CNR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6614960 0.80 HRH3 (0.39) PTGESMEN1KMT2A

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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