SCHEMBL6618795

SCHEMBL6618795

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ SSTR3 P32745 2/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ACKR3 P25106 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ KDR P35968 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
SCHEMBL6616448 0.94 EPHX2 (0.40) HRH3EPHX2SSTR3PAX8ACKR3
SCHEMBL6621042 0.93 ACKR3 (0.40) ACKR3PKMPPARGLMNAHSD11B1
SCHEMBL6683281 0.92 MAPT (0.40) HRH3EPHX2PAX8PKMRAB9A
SCHEMBL6616443 0.92 CRACR2A (0.42) HRH3PAX8PTGESMAPT
SCHEMBL6619848 0.92 PPARG (0.42) ACKR3PKMRAB9APPARGMAPT
SCHEMBL6618455 0.92 LMNA (0.39) ACKR3LMNAMAPT
SCHEMBL6617068 0.90 PKM (0.38) ACKR3PKMRAB9APTGESLMNA
SCHEMBL6617585 0.90 ALDH1A1 (0.43) ACKR3RAB9ALMNATP53MAPT
SCHEMBL6620593 0.88 HRH3 (0.39) HRH3EPHX2ACKR3RAB9ACNR1
SCHEMBL6615915 0.88 PAX8 (0.49) PAX8RAB9ALMNATP53MAPT

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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