SCHEMBL8033974

SCHEMBL8033974

Clc1ccc(-c2csc(Sc3nnc(-c4cccs4)n3CCc3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
NPC1 O15118 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CPB1 P15086 1/20 0.42
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 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
SCHEMBL8041907 0.93 RAB9A (0.47) LMNASMN1; SMN2RAB9AHTTPLA2G1B
SCHEMBL8046726 0.84 RAB9A (0.41) LMNASMN1; SMN2RAB9AHTTNPC1
SCHEMBL8033660 0.83 MAPT (0.44) LMNASMN1; SMN2RAB9AHTTPLA2G1B
SCHEMBL8033836 0.83 TSHR (0.47) LMNASMN1; SMN2RAB9AHTTPLA2G1B
SCHEMBL8033238 0.83 RAB9A (0.52) LMNASMN1; SMN2RAB9AHTTNPC1
SCHEMBL8048096 0.83 MAPT (0.55) LMNASMN1; SMN2RAB9AHTTNPC1
SCHEMBL8051082 0.82 TSHR (0.55) LMNASMN1; SMN2RAB9AHTTPLA2G1B
SCHEMBL8050349 0.80 MAPT (0.42) LMNASMN1; SMN2RAB9AHTTPLA2G1B
SCHEMBL8044230 0.78 RAB9A (0.47) LMNASMN1; SMN2RAB9AHTTPLA2G1B
SCHEMBL8043994 0.78 ALDH1A1 (0.53) LMNASMN1; SMN2RAB9AHTTNPC1

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