SCHEMBL8713674

SCHEMBL8713674

Clc1ccc(-c2csc(Sc3nnnn3Cc3cccs3)n2)cc1.c1ccc(-c2csc(Sc3nnnn3Cc3cccs3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
HTT P42858 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TSHR P16473 3/20 0.38
USP2 O75604 1/20 0.38
RORC P51449 1/20 0.38
RAB9A P51151 2/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 3/20 0.36
NR1I3 Q14994 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL8045832 0.97 LMNA (0.42) LMNAALDH1A1MAPTHTTMAPK1
SCHEMBL8050306 0.94 LMNA (0.41) LMNAALDH1A1MAPTHTTMAPK1
SCHEMBL8046147 0.87 ALDH1A1 (0.42) LMNAALDH1A1MAPTHTTMAPK1
SCHEMBL8048583 0.83 ALDH1A1 (0.45) LMNAALDH1A1HTTMAPK1SMN1; SMN2
SCHEMBL8711210 0.82 HTT (0.41) LMNAALDH1A1MAPTHTTHSD17B10
SCHEMBL8042146 0.81 KDM4E (0.42) LMNAMAPTHTTSMN1; SMN2RAB9A
SCHEMBL8043207 0.80 MAPT (0.44) LMNAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL8043763 0.79 ALDH1A1 (0.40) LMNAALDH1A1MAPTHTTMAPK1
SCHEMBL8047667 0.79 LMNA (0.40) LMNAALDH1A1MAPTHTTMAPK1
SCHEMBL8041897 0.79 ALDH1A1 (0.47) LMNAALDH1A1MAPTHTTMAPK1

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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed