SCHEMBL9534062

SCHEMBL9534062

Cc1c(Br)c(=O)c(C(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NLRP3 Q96P20 11/20 0.39
CTDSP1 Q9GZU7 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 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
SCHEMBL9535716 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CTDSP1TSHRMAPK1
SCHEMBL10424581 0.87 CTDSP1 (0.37) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9535337 0.86 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CTDSP1TSHRMAPK1
SCHEMBL9536958 0.82 ALDH1A1 (0.38) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9536082 0.82 ALDH1A1 (0.38) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9538452 0.81 CTDSP1 (0.37) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9534636 0.81 RAB9A (0.38) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9533656 0.81 ALDH1A1 (0.37) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9534109 0.81 CTDSP1 (0.40) ALDH1A1CTDSP1TSHRMAPK1GAA
SCHEMBL9538659 0.80 CTDSP1 (0.42) ALDH1A1CTDSP1TSHRGAAALOX15

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