SCHEMBL8048046

SCHEMBL8048046

CCn1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
RAB9A P51151 5/20 0.47
LMNA P02545 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX12 P18054 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
AR P10275 1/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL8044982 0.91 MAPT (0.44) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8044338 0.89 POLB (0.44) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8051868 0.86 HTR1A (0.52) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8033890 0.85 RAB9A (0.46) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8051792 0.85 AR (0.43) MAPTRAB9ALMNANPC1KMT2A
SCHEMBL8050205 0.85 RAB9A (0.43) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8049804 0.84 KMT2A (0.43) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8046628 0.82 AR (0.40) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8042670 0.82 RAB9A (0.43) MAPTRAB9ALMNANPC1MEN1
SCHEMBL8046631 0.81 IDH1 (0.42) MAPTRAB9ALMNANPC1MEN1

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