SCHEMBL6203580

SCHEMBL6203580

O=C(NC1CCCCC1C(=O)Nc1cccc(-c2n[nH]cc2-c2nc3ncccc3o2)c1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
FAAH O00519 1/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
CASP3 P42574 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6200627 0.91 HSD17B10 (0.48) HSD17B10FAAHGAASMN1; SMN2KDM4E
SCHEMBL6085163 0.79 CETP (0.42) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL6203549 0.76 SMN1; SMN2 (0.52) HSD17B10FAAHGAASMN1; SMN2KDM4E
SCHEMBL6084074 0.73 CTSB (0.40) RAB9ACASP3
SCHEMBL6084524 0.72 CEPT1 (0.43) SMN1; SMN2ALDH1A1LMNANPC1TP53
SCHEMBL6202061 0.71 FAAH (0.58) HSD17B10FAAHGAASMN1; SMN2KDM4E
SCHEMBL6084701 0.71 CETP (0.42) HSD17B10SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL6203431 0.70 GAA (0.60) HSD17B10FAAHGAASMN1; SMN2KDM4E
SCHEMBL6203041 0.70 FAAH (0.50) HSD17B10FAAHGAASMN1; SMN2KDM4E
SCHEMBL6203914 0.70 KDM4E (0.52) HSD17B10FAAHGAASMN1; SMN2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed