SCHEMBL9534636

SCHEMBL9534636

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
CTDSP1 Q9GZU7 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 3/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.33
KCNK3 O14649 4/20 0.33
PKM P14618 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
SCHEMBL9536082 0.99 ALDH1A1 (0.38) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9538452 0.94 CTDSP1 (0.37) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9536958 0.93 ALDH1A1 (0.38) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9537476 0.92 CTDSP1 (0.36) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9534752 0.92 MAPK1 (0.37) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9533656 0.91 ALDH1A1 (0.37) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9534944 0.90 ALDH1A1 (0.39) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9536103 0.89 CTDSP1 (0.41) CTDSP1ALDH1A1GAAALOX15MAPK1
SCHEMBL9535761 0.89 ALDH1A1 (0.40) RAB9ACTDSP1ALDH1A1GAAALOX15
SCHEMBL9537335 0.89 TP53 (0.36) CTDSP1ALDH1A1GAAALOX15MAPK1

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