SCHEMBL6615996

SCHEMBL6615996

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ CASP3 P42574 2/20 0.45
▸ SENP8 Q96LD8 2/20 0.45
▸ SENP7 Q9BQF6 2/20 0.45
▸ SENP6 Q9GZR1 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PKM P14618 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41

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
SCHEMBL6684057 0.93 HPGD (0.43) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6620539 0.90 NPC1 (0.44) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6613581 0.89 NPC1 (0.47) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6618786 0.88 NPC1 (0.45) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6651951 0.88 P2RY14 (0.41) HPGDLMNAPOLBSMN1; SMN2MAPT
SCHEMBL6618155 0.87 RAB9A (0.45) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6618994 0.86 NPC1 (0.49) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6612836 0.86 MAPT (0.46) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6617876 0.86 CASP3 (0.48) HPGDNPC1RAB9ACASP3SENP8
SCHEMBL6616629 0.86 PLCG1 (0.46) HPGDNPC1RAB9ACASP3SENP8

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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