SCHEMBL8042640

SCHEMBL8042640

CN(C)c1ccc(-n2nnnc2Sc2nc(Br)c(Br)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 10/20 0.41
LMNA P02545 7/20 0.41
KMT2A Q03164 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 4/20 0.41
TP53 P04637 4/20 0.41
MAPK1 P28482 4/20 0.41
HSD17B10 Q99714 3/20 0.41
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL8052060 0.86 MAPT (0.41) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL8043940 0.86 ALDH1A1 (0.43) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8044786 0.84 ALDH1A1 (0.42) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL8052220 0.84 ALDH1A1 (0.54) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL8048499 0.83 KDM4E (0.49) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL8034305 0.80 KMT2A (0.51) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL8048239 0.79 ALDH1A1 (0.55) MAPTPOLBALDH1A1LMNAKMT2A
SCHEMBL8042219 0.79 PTGS2 (0.44) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8047577 0.79 SMN1; SMN2 (0.45) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8042535 0.78 PTGS2 (0.44) MAPTPOLBALDH1A1LMNAKMT2A

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