SCHEMBL6621042

SCHEMBL6621042

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.40
▸ PPARG P37231 3/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ SMO Q99835 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ SENP5 Q96HI0 1/20 0.36
▸ SENP2 Q9HC62 1/20 0.36
▸ SENP1 Q9P0U3 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 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
SCHEMBL6618455 0.94 LMNA (0.39) ACKR3ALDH1A1GRM4KDM4ELMNA
SCHEMBL6619848 0.94 PPARG (0.42) ACKR3PPARGPKMNR2E3ALDH1A1
SCHEMBL6603314 0.94 PPARG (0.40) ACKR3PPARGPKMSMONR2E3
SCHEMBL6618795 0.93 HRH3 (0.40) ACKR3PPARGPKMHSD11B1LMNA
SCHEMBL6620553 0.92 RAB9A (0.42) ACKR3KDM4CPKMHSD11B1ALDH1A1
SCHEMBL6617068 0.92 PKM (0.38) ACKR3KDM4CPKMHSD11B1NR2E3
SCHEMBL6617585 0.92 ALDH1A1 (0.43) ACKR3ALDH1A1GRM4KDM4ELMNA
SCHEMBL6617490 0.92 PPARG (0.41) ACKR3PPARGPKMSMOALDH1A1
SCHEMBL6620229 0.89 PPARG (0.42) PPARGPKMGRM4CHRM5CHRM1
SCHEMBL6618849 0.89 CHRM5 (0.40) ACKR3PKMHSD11B1NR2E3GRM4

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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