SCHEMBL6621094

SCHEMBL6621094

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.43
▸ NR1I2 O75469 1/20 0.39
▸ RORA P35398 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ RORB Q92753 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ P2RX1 P51575 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6618658 0.97 PPARG (0.44) PPARGNR1I2RORARORCNR1H2
SCHEMBL6619848 0.94 PPARG (0.42) PPARGNR1I2RORARORCNR1H2
SCHEMBL6603314 0.94 PPARG (0.40) PPARGCNR1MAPTNR2E3RAB9A
SCHEMBL6618100 0.92 CNR1 (0.41) MEN1KMT2ACNR1MAPTRAB9A
SCHEMBL6617385 0.92 LMNA (0.39) MEN1KMT2AMAPTPKMLMNA
SCHEMBL6616448 0.91 EPHX2 (0.40) PPARGCNR1MAPTNR2E3RAB9A
SCHEMBL6617490 0.90 PPARG (0.41) PPARGCNR1MAPTPKMKCNJ6
SCHEMBL6619166 0.90 MAPT (0.44) MEN1KMT2ACNR1MAPTRAB9A
SCHEMBL6618467 0.90 RAB9A (0.39) PPARGMEN1KMT2ACNR1RAB9A
SCHEMBL6620569 0.89 CNR1 (0.41) KMT2ACNR1MAPTNR2E3RAB9A

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