SCHEMBL6616448

SCHEMBL6616448

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PAX8 Q06710 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ NR2E3 Q9Y5X4 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
SCHEMBL6683281 0.97 MAPT (0.40) EPHX2MAPTHRH3RAB9APKM
SCHEMBL6618795 0.94 HRH3 (0.40) EPHX2MAPTHRH3LMNARAB9A
SCHEMBL6603314 0.93 PPARG (0.40) MAPTLMNARAB9APKMMAPK1
SCHEMBL6621094 0.91 PPARG (0.43) MAPTLMNARAB9APKMMAPK1
SCHEMBL6617385 0.91 LMNA (0.39) MAPTLMNAPKMTDP1KDM4E
SCHEMBL6618100 0.90 CNR1 (0.41) EPHX2MAPTLMNARAB9APKM
SCHEMBL6618278 0.90 MEN1 (0.45) MAPTLMNARAB9APKMMAPK1
SCHEMBL6619381 0.90 HRH3 (0.43) EPHX2HRH3SSTR3CNR1
SCHEMBL6617337 0.90 CNR1 (0.39) MAPTLMNARAB9APKMMAPK1
SCHEMBL6617490 0.89 PPARG (0.41) MAPTPKMCNR1ROCK2PPARG

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
Send feedback