SCHEMBL6613581

SCHEMBL6613581

O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3cccc(F)c3)n2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CASP3 P42574 2/20 0.42
▸ SENP8 Q96LD8 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL6617876 0.89 CASP3 (0.48) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL6615996 0.89 HPGD (0.50) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL6617814 0.89 MAPT (0.48) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL6612836 0.88 MAPT (0.46) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL6619547 0.88 CASP3 (0.48) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL6615977 0.88 LMNA (0.42) MEN1KMT2ATP53LMNAMAPT
SCHEMBL6616559 0.87 MAPT (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6618994 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL6617223 0.86 MAPT (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6615684 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDMEN1

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 4 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
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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