SCHEMBL6675599

SCHEMBL6675599

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ POLB P06746 1/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ACKR3 P25106 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL6616601 0.92 ACKR3 (0.48) NPC1RAB9ASMN1; SMN2POLBTRPA1
SCHEMBL6606969 0.90 POLB (0.43) NPC1RAB9ASMN1; SMN2POLBTRPA1
SCHEMBL6616205 0.87 HTR3A (0.44) POLBKMT2AMEN1
SCHEMBL6631319 0.86 JAK2 (0.39) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL6603404 0.85 RAB9A (0.40) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL6617884 0.85 ACKR3 (0.42) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL6619573 0.85 JAK2 (0.43) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL6618494 0.85 ACKR3 (0.41) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL6618879 0.85 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2POLBACKR3
SCHEMBL6673477 0.84 MEN1 (0.44) NPC1RAB9ASMN1; SMN2POLBACKR3

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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