SCHEMBL6618658

SCHEMBL6618658

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ 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
▸ P2RX1 P51575 1/20 0.38
▸ KCNJ6 P48051 2/20 0.38
▸ KCNJ5 P48544 2/20 0.38
▸ KCNJ3 P48549 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NR2E3 Q9Y5X4 1/20 0.38

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
SCHEMBL6621094 0.97 PPARG (0.43) PPARGCTDSP1MEN1KMT2ACNR1
SCHEMBL6617490 0.93 PPARG (0.41) PPARGCNR1MAPTKCNJ6KCNJ5
SCHEMBL6619848 0.92 PPARG (0.42) PPARGCTDSP1MEN1KMT2AMAPT
SCHEMBL6614980 0.92 CNR1 (0.42) MEN1KMT2ACNR1MAPTKCNJ6
SCHEMBL6683281 0.91 MAPT (0.40) PPARGCNR1MAPTRAB9APKM
SCHEMBL6603314 0.90 PPARG (0.40) PPARGCNR1MAPTRAB9APKM
SCHEMBL6618100 0.89 CNR1 (0.41) MEN1KMT2ACNR1MAPTKCNJ6
SCHEMBL6617385 0.89 LMNA (0.39) MEN1KMT2AMAPTPKMALDH1A1
SCHEMBL6617620 0.89 CNR1 (0.42) KMT2ACNR1MAPTKCNJ6KCNJ5
SCHEMBL6603129 0.88 TP53 (0.41) CNR1MAPTRAB9APKMNR2E3

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 disclosed
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 disclosed
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