SCHEMBL8045337

SCHEMBL8045337

CCCCCCCCc1nnc(S)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C9 P11712 1/20 0.41
RAB9A P51151 3/20 0.39
DNMT1 P26358 1/20 0.39
TSHR P16473 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
GAPDH P04406 1/20 0.36
ALOX15 P16050 1/20 0.36
NR4A1 P22736 1/20 0.36
APEX1 P27695 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8034034 1.00 ALDH1A1 (0.61) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL8046529 0.98 ALDH1A1 (0.58) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL1719258 0.94 ALDH1A1 (0.52) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL14557094 0.87 ALDH1A1 (0.50) ALDH1A1POLBNPSR1L3MBTL1GLS
SCHEMBL6553986 0.85 ALDH1A1 (0.73) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL31244838 0.85 ALDH1A1 (0.73) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL22368217 0.85 ALDH1A1 (0.73) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL6406054 0.83 ALDH1A1 (0.69) ALDH1A1POLBNPSR1CYP2C9RAB9A
SCHEMBL5654025 0.79 ALDH1A1 (0.41) ALDH1A1POLBNPSR1TSHRGLS
SCHEMBL11422899 0.78 ALDH1A1 (0.63) ALDH1A1POLBNPSR1CYP2C9RAB9A

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed