SCHEMBL6618768

SCHEMBL6618768

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL6618491 0.95 MEN1 (0.45) MEN1KMT2AHSD17B10GLAPOLB
SCHEMBL6618170 0.91 MEN1 (0.47) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL6619573 0.91 JAK2 (0.43) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL6618519 0.91 ALDH1A1 (0.42) MEN1KMT2AHSD17B10POLBALDH1A1
SCHEMBL6621361 0.91 JAK2 (0.43) MEN1KMT2APOLBSMN1; SMN2
SCHEMBL6617523 0.91 NPSR1 (0.44) MEN1KMT2AHSD17B10GLAALDH1A1
SCHEMBL6606378 0.89 CNR1 (0.40) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL6614362 0.88 HRH3 (0.43) MEN1KMT2AHSD17B10POLBGAA
SCHEMBL6622866 0.88 KDM4E (0.40) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL6616981 0.88 GNRHR (0.41) MEN1KMT2AHSD17B10POLBALDH1A1

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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