SCHEMBL8050293

SCHEMBL8050293

Clc1ccc(-c2csc(Sc3nnn[nH]3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LTA4H P09960 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP19A1 P11511 1/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 3/20 0.39
HPGD P15428 1/20 0.39
ABL1 P00519 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8050210 0.86 HTR1A (0.48) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8050615 0.75 ALOX5 (0.35) KDM4ELTA4HKMT2AMAPTMEN1
SCHEMBL8709911 0.74 ALOX5 (0.44) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL4047040 0.72 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8042106 0.72 LTA4H (0.44) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8042056 0.71 FBP1 (0.51) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8045613 0.71 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8041816 0.70 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8048046 0.70 MAPT (0.47) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL8050040 0.70 HTT (0.51) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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