SCHEMBL11335348

SCHEMBL11335348

Cc1ccc2oc(CC(=O)NCC(C)C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
P2RY14 Q15391 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
AGPAT2 O15120 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL11329123 0.86 KDM4E (0.48) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11336741 0.84 KDM4E (0.49) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11325951 0.84 AGPAT2 (0.44) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11330860 0.83 KDM4E (0.47) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11328981 0.82 KDM4E (0.43) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11324879 0.81 RAB9A (0.53) SMN1; SMN2NPC1RAB9AMAPTGAA
SCHEMBL11321391 0.80 HPGD (0.47) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9073764 0.78 GAA (0.61) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11333951 0.78 AGPAT2 (0.47) HPGDKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11341446 0.77 RAB9A (0.50) HPGDKDM4ESMN1; SMN2NPC1RAB9A

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