SCHEMBL6618491

SCHEMBL6618491

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALOX12 P18054 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ ERCC4 Q92889 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
SCHEMBL6618768 0.95 MEN1 (0.46) MEN1KMT2AHSD17B10GLAPOLB
SCHEMBL6616778 0.91 JAK2 (0.41) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6614450 0.91 ALDH1A1 (0.41) MEN1KMT2AHSD17B10POLBALDH1A1
SCHEMBL6617727 0.89 GNRHR (0.39) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL6616621 0.89 SMN1; SMN2 (0.40) MEN1KMT2AHSD17B10GLAPOLB
SCHEMBL6618495 0.88 GNRHR (0.40) KMT2AHSD17B10ALDH1A1NPC1RAB9A
SCHEMBL6618430 0.88 ALDH1A1 (0.38) HSD17B10POLBGAAALDH1A1USP2
SCHEMBL6621042 0.88 ACKR3 (0.40) GAAALDH1A1USP2HPGD
SCHEMBL6618131 0.86 MAPT (0.45) MEN1KMT2AHSD17B10GAAALDH1A1
SCHEMBL6604168 0.86 CRACR2A (0.42) —

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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