SCHEMBL9535761

SCHEMBL9535761

CCc1cc(OC)cc(CC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
CTDSP1 Q9GZU7 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 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
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 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
SCHEMBL9534944 0.99 ALDH1A1 (0.39) ALDH1A1GAAALOX15MAPK1TP53
SCHEMBL9536082 0.90 ALDH1A1 (0.38) ALDH1A1GAAALOX15MAPK1TP53
SCHEMBL9536958 0.90 ALDH1A1 (0.38) ALDH1A1GAAALOX15MAPK1CTDSP1
SCHEMBL9538452 0.89 CTDSP1 (0.37) ALDH1A1GAAALOX15MAPK1CTDSP1
SCHEMBL9534636 0.89 RAB9A (0.38) ALDH1A1GAAALOX15MAPK1TP53
SCHEMBL9533656 0.88 ALDH1A1 (0.37) ALDH1A1GAAALOX15MAPK1CTDSP1
SCHEMBL9534752 0.87 MAPK1 (0.37) ALDH1A1GAAALOX15MAPK1KMT2A
SCHEMBL9537476 0.87 CTDSP1 (0.36) ALDH1A1GAAALOX15MAPK1TP53
SCHEMBL9538659 0.86 CTDSP1 (0.42) ALDH1A1GAAALOX15TP53LMNA
SCHEMBL9535621 0.86 CTDSP1 (0.42) ALDH1A1GAAALOX15TP53LMNA

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 claimed
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 claimed
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 claimed