SCHEMBL9537574

SCHEMBL9537574

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CFTR P13569 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL9536103 0.89 CTDSP1 (0.41) CTDSP1TSHRALDH1A1CFTRGAA
SCHEMBL9534524 0.88 CTDSP1 (0.42) CTDSP1TSHRALDH1A1CFTRGAA
SCHEMBL9538659 0.88 CTDSP1 (0.42) CTDSP1TSHRALDH1A1CFTRGAA
SCHEMBL9535621 0.88 CTDSP1 (0.42) CTDSP1TSHRALDH1A1CFTRGAA
SCHEMBL9535773 0.86 CTDSP1 (0.39) CTDSP1TSHRALDH1A1CFTRKDM4E
SCHEMBL9534154 0.84 CTDSP1 (0.43) CTDSP1TSHRALDH1A1CFTRGAA
SCHEMBL10512411 0.82 CTDSP1 (0.38) CTDSP1TSHRALDH1A1GAAALOX15
SCHEMBL9534895 0.82 CTDSP1 (0.44) CTDSP1TSHRALDH1A1CFTRGAA
SCHEMBL9535595 0.81 GAA (0.38) CTDSP1GAATP53MAPTMEN1
SCHEMBL9536092 0.81 CTDSP1 (0.41) CTDSP1TSHRALDH1A1CFTRGAA

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