SCHEMBL9541352

SCHEMBL9541352

COC(=O)c1cc(SC#N)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.53
KDM4E B2RXH2 9/20 0.53
MAPT P10636 8/20 0.53
HPGD P15428 6/20 0.53
GAA P10253 5/20 0.53
HSD17B10 Q99714 4/20 0.53
ALOX15 P16050 2/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
CFTR P13569 3/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GLA P06280 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
ABL1 P00519 1/20 0.43

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
SCHEMBL9543995 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL11095697 0.81 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL8422402 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDGAA
Hydrochloric Acid SCHEMBL11278666 0.80 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL13753940 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL28277467 0.77 SIRT6 (0.49) ALDH1A1MAPTHPGDGABRA1GABRG2
SCHEMBL1027768 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4842734 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL24391473 0.76 MAPT (0.61) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL10432256 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDGAA

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
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-5102994-A Monoazo dyes; colorfastness, for polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 US disclosed