SCHEMBL9534752

SCHEMBL9534752

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
CTDSP1 Q9GZU7 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
MAP2K1 Q02750 2/20 0.34
DHODH Q02127 3/20 0.33
TSHR P16473 1/20 0.33
LDHA P00338 1/20 0.32
RAB9A P51151 1/20 0.32
KCNK3 O14649 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL9533656 0.99 ALDH1A1 (0.37) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9534636 0.92 RAB9A (0.38) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9538452 0.92 CTDSP1 (0.37) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9536082 0.91 ALDH1A1 (0.38) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9536958 0.91 ALDH1A1 (0.38) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9537476 0.90 CTDSP1 (0.36) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL10423508 0.88 CTDSP1 (0.36) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9534944 0.88 ALDH1A1 (0.39) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9536103 0.88 CTDSP1 (0.41) MAPK1CTDSP1ALDH1A1GAAALOX15
SCHEMBL9537335 0.87 TP53 (0.36) MAPK1CTDSP1ALDH1A1GAAALOX15

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