SCHEMBL11237893

SCHEMBL11237893

CN(CC=O)C(=O)Nc1nc2c(s1)C(C)(C)CC(C)(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
PTPN1 P18031 1/20 0.33
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PAX8 Q06710 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL11235940 0.78 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11361298 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11233813 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11232504 0.72 TSHR (0.57) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11555476 0.66 TP53 (0.51) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11634898 0.66 ADORA1 (0.58) ALDH1A1KDM4EHTTNPC1RAB9A
SCHEMBL10743806 0.65 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHTTNPC1
SCHEMBL11552092 0.64 GLS (0.39) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11682142 0.64 MME (0.35) ALDH1A1HPGDHSD17B10
SCHEMBL11602643 0.64 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2LMNA

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