SCHEMBL9536103

SCHEMBL9536103

CCc1cccc(CC)c1NC(=O)c1c2n(c(C)c(Br)c1=O)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CFTR P13569 1/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL9538659 0.99 CTDSP1 (0.42) CTDSP1TSHRALDH1A1LMNATP53
SCHEMBL9534524 0.99 CTDSP1 (0.42) CTDSP1TSHRALDH1A1LMNATP53
SCHEMBL9535621 0.99 CTDSP1 (0.42) CTDSP1TSHRALDH1A1LMNATP53
SCHEMBL10512411 0.92 CTDSP1 (0.38) CTDSP1TSHRALDH1A1LMNATP53
SCHEMBL9535595 0.91 GAA (0.38) CTDSP1TP53GAAMAPTMAPK1
SCHEMBL9537574 0.89 CTDSP1 (0.41) CTDSP1TSHRALDH1A1LMNATP53
SCHEMBL9538452 0.89 CTDSP1 (0.37) CTDSP1TSHRALDH1A1GAAALOX15
SCHEMBL9534636 0.89 RAB9A (0.38) CTDSP1TSHRALDH1A1TP53GAA
SCHEMBL9536958 0.88 ALDH1A1 (0.38) CTDSP1TSHRALDH1A1GAAALOX15
SCHEMBL9536082 0.88 ALDH1A1 (0.38) CTDSP1TSHRALDH1A1TP53GAA

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 6 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
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