SCHEMBL9872497

SCHEMBL9872497

N#Cc1sc(N)c(C#N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.42
ALDH1A1 P00352 14/20 0.41
MAPT P10636 10/20 0.41
HSD17B10 Q99714 7/20 0.41
GAA P10253 4/20 0.41
ALOX15 P16050 4/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
CASP1 P29466 5/20 0.39
POLB P06746 2/20 0.39
PABPC1 P11940 1/20 0.39
KDM4E B2RXH2 9/20 0.38
HPGD P15428 6/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM6 O15303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KRAS P01116 1/20 0.35

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
SCHEMBL11064868 0.77 BPTF (0.48) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL21122265 0.77 ALDH1A1 (0.41) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL5040281 0.77 BPTF (0.37) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL10288390 0.75 BPTF (0.39) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL10308584 0.75 ALDH1A1 (0.44) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL9493186 0.73 ALDH1A1 (0.38) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL24488063 0.73 L3MBTL1 (0.42) BPTFALDH1A1MAPTHSD17B10GAA
SCHEMBL9864663 0.69 GRIA4 (0.37) ALDH1A1MAPTHSD17B10GAAALOX15
SCHEMBL28027611 0.68 KDM4E (0.40) ALDH1A1MAPTHSD17B10ALOX15MAPK1
SCHEMBL9872797 0.68 ALDH1A1 (0.42) BPTFALDH1A1MAPTHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064962-A DIAMINOTHIOPHENES BASF AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
EP-0384314-A2 Diaminothiophenes BASF Aktiengesellschaft (DE) 1990-08-29 EP disclosed