SCHEMBL11325951

SCHEMBL11325951

Cc1ccc2oc(CC(=O)NCCO)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.44
KDM4E B2RXH2 6/20 0.44
TP53 P04637 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
P2RY14 Q15391 1/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL11336741 0.90 KDM4E (0.49) AGPAT2KDM4ETP53NPC1RAB9A
SCHEMBL11328981 0.89 KDM4E (0.43) AGPAT2KDM4ETP53NPC1RAB9A
SCHEMBL11329123 0.87 KDM4E (0.48) AGPAT2KDM4ETP53NPC1RAB9A
SCHEMBL11321391 0.85 HPGD (0.47) AGPAT2KDM4ETP53NPC1RAB9A
SCHEMBL22840494 0.84 HDAC6 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11330860 0.84 KDM4E (0.47) AGPAT2KDM4ETP53NPC1RAB9A
SCHEMBL11335348 0.84 HPGD (0.51) AGPAT2KDM4ETP53NPC1RAB9A
SCHEMBL11324879 0.81 RAB9A (0.53) TP53NPC1RAB9ASMN1; SMN2P2RY14
SCHEMBL12210195 0.79 NPC1 (0.56) KDM4ETP53NPC1RAB9ASMN1; SMN2
SCHEMBL9073764 0.79 GAA (0.61) KDM4ETP53NPC1RAB9ASMN1; SMN2

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
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed