SCHEMBL8043194

SCHEMBL8043194

Cc1ccc(-n2nnnc2Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PLAU P00749 1/20 0.36
C1S P09871 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
SCHEMBL8710052 0.96 LMNA (0.41) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8047340 0.89 ALDH1A1 (0.40) KMT2ALMNARAB9AMAPTNPC1
SCHEMBL8046358 0.87 LMNA (0.39) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8043842 0.85 KMT2A (0.44) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8045804 0.83 KDM1A (0.39) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8047667 0.82 LMNA (0.40) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8042326 0.81 ALDH1A1 (0.37) KMT2AMEN1LMNARAB9AMAPT
SCHEMBL8043331 0.81 MAPT (0.34) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8041897 0.80 ALDH1A1 (0.47) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8711210 0.80 HTT (0.41) KMT2AMEN1LMNACYP1A2CYP3A4

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