SCHEMBL8045097

SCHEMBL8045097

Cc1csc(Sc2nnc(C(F)(F)F)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NOS1 P29475 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL8032615 0.85 SMN1; SMN2 (0.33) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL8043894 0.78 GAA (0.49) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL8042571 0.75 RAB9A (0.48) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL8043155 0.75 NPSR1 (0.49) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL8051771 0.74 ALOX5 (0.36) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL8033569 0.73 HSD17B10 (0.43) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL8051857 0.73 ALOX5 (0.44) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL8044770 0.72 FBP1 (0.43) RAB9ANPC1ALDH1A1HTT
SCHEMBL8043474 0.72 MEN1 (0.53) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL8033855 0.72 SMN1; SMN2 (0.33) RAB9ANPC1ALDH1A1MAPTGAA

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