SCHEMBL8042926

SCHEMBL8042926

CCc1ccc(C2=NC(=S)N=N2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2E1 P05181 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2A6 P11509 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PRNP P04156 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8050845 0.76 KDM4E (0.31) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL13621245 0.72 DPP4 (0.41) MEN1KMT2ACYP1A2CYP2E1CYP3A4
SCHEMBL20814635 0.70 DPP4 (0.44) MEN1KMT2ACYP1A2CYP2E1CYP3A4
SCHEMBL2027946 0.70 DPP4 (0.44) MEN1KMT2ACYP1A2CYP2E1CYP3A4
SCHEMBL12362134 0.67 PRMT6 (0.43) MEN1KMT2ACYP1A2CYP2E1CYP3A4
SCHEMBL14586198 0.66 PRMT6 (0.42) MEN1KMT2ACYP1A2CYP2E1CYP3A4
SCHEMBL13420010 0.65 CYP2A6 (0.47) MEN1KMT2ACYP2E1CYP3A4CYP2D6
SCHEMBL45854 0.65
SCHEMBL14455880 0.64 KMT2A (0.41) MEN1KMT2ACYP1A2CYP2E1CYP3A4
SCHEMBL14455882 0.64 KMT2A (0.41) MEN1KMT2ACYP1A2CYP2E1CYP3A4

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