SCHEMBL9382020

SCHEMBL9382020

Cn1c(NC2=CC(=O)CCC2)c(C#N)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 2/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL9384694 0.98 EGFR (0.43) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9689388 0.96 ALDH1A1 (0.44) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9383692 0.93 EGFR (0.45) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9381112 0.81 ALDH1A1 (0.43) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9380917 0.81 EGFR (0.40) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9382965 0.81 ALDH1A1 (0.42) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9381382 0.78 ALDH1A1 (0.40) EGFRSRCALDH1A1HSD17B10TSHR
SCHEMBL9686866 0.70 POLB (0.39) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL8984088 0.67 MT-CO2 (0.45) ALDH1A1HSD17B10TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9875354 0.66 MT-CO2 (0.44) ALDH1A1HSD17B10TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372962-B1 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1994-07-20 EP claimed
EP-0372962-A2 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-06-13 EP claimed
EP-0372962-B1 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1994-07-20 EP disclosed
US-5079246-A Antidepressants, anxiolytic agents BEACHAM GROUP P. L. C. (GB) 1992-01-07 US disclosed
EP-0372962-A2 Quinindolinone derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-06-13 EP disclosed