SCHEMBL9535773

SCHEMBL9535773

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 2/20 0.39
DHODH Q02127 2/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
CFTR P13569 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
LMNA P02545 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
SCHEMBL9536103 0.86 CTDSP1 (0.41) CTDSP1TSHRCFTRALDH1A1KDM4E
SCHEMBL9537574 0.86 CTDSP1 (0.41) CTDSP1TSHRPOLBCFTRALDH1A1
SCHEMBL9534524 0.85 CTDSP1 (0.42) CTDSP1TSHRPOLBCFTRALDH1A1
SCHEMBL9535621 0.85 CTDSP1 (0.42) CTDSP1TSHRPOLBCFTRALDH1A1
SCHEMBL9538659 0.85 CTDSP1 (0.42) CTDSP1TSHRPOLBCFTRALDH1A1
SCHEMBL9534154 0.80 CTDSP1 (0.43) CTDSP1TSHRPOLBCFTRALDH1A1
SCHEMBL10423508 0.79 CTDSP1 (0.36) CTDSP1DHODHTSHRALDH1A1TP53
SCHEMBL10512411 0.79 CTDSP1 (0.38) CTDSP1TSHRPOLBALDH1A1KDM4E
SCHEMBL9534895 0.79 CTDSP1 (0.44) CTDSP1TSHRPOLBCFTRALDH1A1
SCHEMBL9535595 0.78 GAA (0.38) CTDSP1TP53MAPT

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