SCHEMBL8044780

SCHEMBL8044780

Cn1c(Sc2nc(-c3ccc(Cl)cc3)cs2)nnc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
ALOX12 P18054 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LTA4H P09960 1/20 0.37
ABL1 P00519 1/20 0.37
CYP19A1 P11511 1/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 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
SCHEMBL8032515 0.88 HTR1A (0.43) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8043006 0.84 RAB9A (0.43) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8051083 0.83 ALOX5 (0.39) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8051863 0.79 MAPT (0.35) MAPTMEN1KMT2ATDP1AR
SCHEMBL8048096 0.77 MAPT (0.55) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8034370 0.76 MEN1 (0.37) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8046692 0.76 ABL1 (0.44) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8050040 0.76 HTT (0.51) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8050228 0.76 RAB9A (0.41) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL8041954 0.73 RAB9A (0.43) RAB9ANPC1MAPTLMNAMEN1

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