SCHEMBL11235940

SCHEMBL11235940

CC1CC(C)(C)Cc2nc(NC(=O)N(C)CC=O)sc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.37
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.33
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL11356665 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11237893 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11364889 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11364883 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL3534685 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11232504 0.71 TSHR (0.57) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11634898 0.68 ADORA1 (0.58) ALDH1A1KDM4EHTTNPC1RAB9A
SCHEMBL11555476 0.66 TP53 (0.51) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11751913 0.64 CA2 (0.43) SMN1; SMN2TP53MAPTTHRB
SCHEMBL11683084 0.64 ALDH1A1 (0.54) ALDH1A1HPGDNPC1RAB9AL3MBTL1

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-4319914-A POSTEMERGENCE HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-03-16 US disclosed