SCHEMBL6617940

SCHEMBL6617940

C=CCNC(=O)n1nc(-c2ccc(NC(=O)C3CC3)cc2O)cc1C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TYR P14679 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6617202 0.95 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL6617042 0.88 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL6617161 0.86 ALDH1A1 (0.42) ALDH1A1HPGDKMT2A
SCHEMBL6614766 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL6615076 0.86 RAB9A (0.39) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL6621026 0.86 CRACR2A (0.46) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL6615044 0.86 GAA (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A
SCHEMBL6615699 0.85 KMT2A (0.37) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL6620646 0.84 KDM5A (0.39) ALDH1A1HSD17B10KDM4EHPGDRAB9A
SCHEMBL6618768 0.84 MEN1 (0.46) ALDH1A1HSD17B10HPGDSMN1; SMN2RAB9A

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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