SCHEMBL8041816

SCHEMBL8041816

Cc1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
PLAU P00749 3/20 0.44
C1S P09871 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.43
POLB P06746 2/20 0.42
LTA4H P09960 1/20 0.42
ABL1 P00519 1/20 0.42
CYP19A1 P11511 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL8032700 0.85 HTR1A (0.49) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8042056 0.84 FBP1 (0.51) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8032730 0.82 RAB9A (0.43) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8041954 0.82 RAB9A (0.43) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8042990 0.82 RAB9A (0.47) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8032967 0.80 RAB9A (0.48) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8043773 0.80 KMT2A (0.47) RAB9ANPC1PLAULMNAKMT2A
SCHEMBL8051857 0.80 ALOX5 (0.44) RAB9ANPC1LMNAALDH1A1MAPT
SCHEMBL8032807 0.80 MEN1 (0.45) RAB9ANPC1PLAUC1SLMNA
SCHEMBL8048093 0.79 RAB9A (0.43) RAB9ANPC1PLAUC1SLMNA

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