SCHEMBL9534944

SCHEMBL9534944

CCc1cc(OC)cc(CC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 4/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 3/20 0.35
LDHA P00338 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL9535761 0.99 ALDH1A1 (0.40) ALDH1A1MAPK1GAAALOX15TP53
SCHEMBL9534636 0.90 RAB9A (0.38) ALDH1A1MAPK1GAAALOX15TP53
SCHEMBL9538452 0.90 CTDSP1 (0.37) ALDH1A1MAPK1GAAALOX15LDHA
SCHEMBL9536958 0.89 ALDH1A1 (0.38) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL9536082 0.89 ALDH1A1 (0.38) ALDH1A1MAPK1GAAALOX15TP53
SCHEMBL9534752 0.88 MAPK1 (0.37) ALDH1A1MAPK1GAAALOX15KMT2A
SCHEMBL9537476 0.88 CTDSP1 (0.36) ALDH1A1MAPK1GAAALOX15TP53
SCHEMBL9533656 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1GAAALOX15LDHA
SCHEMBL9536103 0.86 CTDSP1 (0.41) ALDH1A1MAPK1GAAALOX15TP53
SCHEMBL9537335 0.85 TP53 (0.36) ALDH1A1MAPK1GAAALOX15TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312019-B1 CONDENSED HETEROCYCLIC COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND A HERBICIDAL COMPOSITION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-04 EP disclosed
US-4936121-A Condensed heterocyclic compounds, a process for preparing the same and a herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1990-06-26 US disclosed
EP-0312019-A2 Condensed heterocyclic compounds, a process for preparing the same and a herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-19 EP disclosed