SCHEMBL8046147

SCHEMBL8046147

Clc1ccc(-c2csc(Sc3nnnn3Cc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
NR1I3 Q14994 1/20 0.41
P2RX7 Q99572 1/20 0.41
ALOX5 P09917 1/20 0.41
PLAU P00749 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8048583 0.93 ALDH1A1 (0.45) ALDH1A1RAB9ATSHRLMNAP2RX7
SCHEMBL8042146 0.90 KDM4E (0.42) RAB9ALMNANR1I3ALOX5PLAU
SCHEMBL8713674 0.87 LMNA (0.40) ALDH1A1RAB9ATSHRLMNANR1I3
SCHEMBL8045832 0.86 LMNA (0.42) ALDH1A1RAB9ATSHRLMNAKMT2A
SCHEMBL8043207 0.85 MAPT (0.44) ALDH1A1RAB9ATSHRLMNAKMT2A
SCHEMBL8041897 0.84 ALDH1A1 (0.47) ALDH1A1TSHRLMNAALOX5KMT2A
SCHEMBL8044036 0.83 KMT2A (0.44) ALDH1A1RAB9ALMNAKMT2AMAPK1
SCHEMBL8044646 0.83 ALDH1A1 (0.52) ALDH1A1RAB9ALMNAKMT2AMAPK1
SCHEMBL8045085 0.82 POLB (0.43) ALDH1A1RAB9ATSHRLMNAP2RX7
SCHEMBL8720492 0.81 RAB9A (0.41) ALDH1A1RAB9ALMNAALOX5KMT2A

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