SCHEMBL6622866

SCHEMBL6622866

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ POLB P06746 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
SCHEMBL6606378 0.91 CNR1 (0.40) LMNACNR1MAPTNPC1ALDH1A1
SCHEMBL6651075 0.91 KMT2A (0.39) KDM4ELMNACNR1TDP1RAB9A
SCHEMBL6616981 0.90 GNRHR (0.41) KDM4EMAPTNPC1ALDH1A1RAB9A
SCHEMBL6615258 0.88 CNR1 (0.41) KDM4ECNR1NPC1RAB9ASMN1; SMN2
SCHEMBL6618768 0.88 MEN1 (0.46) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6620279 0.87 KMT2A (0.38) KDM4ECNR1KMT2AMEN1KCNJ6
SCHEMBL6620336 0.87 POLB (0.40) KDM4ELMNACNR1TDP1NPC1
SCHEMBL6618535 0.86 CNR1 (0.41) KDM4ECNR1NPC1RAB9ASMN1; SMN2
SCHEMBL6620569 0.86 CNR1 (0.41) KDM4ELMNACNR1TDP1MAPT
SCHEMBL6614591 0.86 P2RY14 (0.42) KDM4EMAPTSMN1; SMN2TP53POLB

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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