SCHEMBL8047667

SCHEMBL8047667

Clc1ccc(-c2csc(Sc3nnnn3-c3cccs3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 2/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM1A O60341 1/20 0.38
HSD17B10 Q99714 2/20 0.38
JAK2 O60674 1/20 0.38
TP53 P04637 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HTT P42858 3/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 4/20 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
SCHEMBL8711210 0.97 HTT (0.41) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8044696 0.90 HTT (0.40) LMNAMEN1KMT2ACYP3A4RAB9A
SCHEMBL8041897 0.84 ALDH1A1 (0.47) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8046358 0.82 LMNA (0.39) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8043194 0.82 KMT2A (0.43) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8050933 0.82 LMNA (0.40) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8045832 0.81 LMNA (0.42) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8710052 0.81 LMNA (0.41) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8044748 0.81 TP53 (0.42) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8715721 0.81 ALDH1A1 (0.41) LMNAMEN1KMT2ACYP1A2CYP3A4

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