SCHEMBL6651075

SCHEMBL6651075

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 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
SCHEMBL6647398 0.93 KMT2A (0.38) KMT2AMEN1HTTKDM4ELMNA
SCHEMBL6622866 0.91 KDM4E (0.40) KMT2AMEN1CNR1KDM4ELMNA
SCHEMBL6620279 0.89 KMT2A (0.38) KMT2AMEN1CNR1KDM4EKCNJ6
SCHEMBL6620336 0.89 POLB (0.40) KMT2AMEN1CNR1KDM4ELMNA
SCHEMBL6614591 0.89 P2RY14 (0.42) KDM4EPOLBNAMPTTP53
SCHEMBL6617294 0.88 SLC1A2 (0.39) KMT2ACNR1KDM4EPOLBNAMPT
SCHEMBL6615258 0.87 CNR1 (0.41) CNR1KDM4EKCNJ6KCNJ5KCNJ3
SCHEMBL6620569 0.87 CNR1 (0.41) KMT2ACNR1KDM4ELMNAKCNJ6
SCHEMBL6624191 0.86 CRACR2A (0.46) HTTCNR1KDM4ELMNATDP1
SCHEMBL6603139 0.85 BRAF (0.40) KMT2AMEN1CNR1LMNAKCNJ6

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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