SCHEMBL9475009

SCHEMBL9475009

Nc1ccc(Nc2nc(S)nc(S)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
RAD52 P43351 1/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
KDM1A O60341 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL8633909 0.94 SYK (0.44) SYKRAD52MAPTL3MBTL1ALDH1A1
SCHEMBL7512302 0.84 RAD52 (0.56) SYKRAD52MAPTL3MBTL1ALDH1A1
SCHEMBL11615704 0.79 RAB9A (0.49) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8629687 0.79 POLB (0.50) MAPTALDH1A1ALOX12MEN1KMT2A
SCHEMBL16628855 0.79 MAPK1 (0.54) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL3125469 0.78 CA12 (0.56) SYKRAD52MAPTL3MBTL1ALDH1A1
SCHEMBL1152315 0.78 MAPT (0.57) MAPTL3MBTL1ALDH1A1ALOX12MEN1
SCHEMBL1151631 0.77 MAPT (0.55) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11583731 0.77 MAPT (0.71) MAPTL3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL11364527 0.77 MAPT (0.55) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-5243047-A Triazole/thiazole amino-s-triazine bonding agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-07 US disclosed
US-4978756-A A 2-MERCAPTO, ALKYLANOYL, ALKENOYL OR ALKDIENOYL AMINO BENZOTHIOZOLE; METALS PROTECTIVE COATING; IMPROVED BONDING OF METALS AND RUBBER; TIRE CORDS ICI AMERICAS INC. (US) 1990-12-18 US disclosed