SCHEMBL10907928

SCHEMBL10907928

CC(C#N)Nc1ccc(NC=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 2/20 0.33
THRB P10828 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MMP2 P08253 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.32
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL28178881 0.83 TYR (0.44) ALDH1A1GAATDP1CYP3A4THRB
SCHEMBL11706931 0.82 ALDH1A1 (0.42) ALDH1A1LMNATDP1KMT2A
Formamide SCHEMBL10909586 0.78 TDP1 (0.45) ALDH1A1LMNAGAATDP1CYP3A4
SCHEMBL11759654 0.78 ALDH1A1 (0.49) ALDH1A1LMNAGAATDP1CYP3A4
SCHEMBL10750375 0.76 ALDH1A1 (0.37) ALDH1A1LMNAGAATDP1CYP3A4
SCHEMBL9412175 0.76 CA12 (0.41) ALDH1A1LMNAGAATDP1CYP3A4
SCHEMBL11759688 0.76 MEN1 (0.43) ALDH1A1LMNAGAATDP1CYP3A4
SCHEMBL19707217 0.76 MMP2 (0.41) ALDH1A1LMNAGAATDP1CYP3A4
SCHEMBL9877223 0.76 ALDH1A1 (0.44) ALDH1A1GAATDP1CYP3A4THRB
SCHEMBL141473 0.75 TDP1 (0.56) ALDH1A1LMNAGAATDP1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602029-A CONTROLLING PLANT DISEASES CHEVRON RESEARCH COMPANY (US) 1986-07-22 US disclosed