SCHEMBL7705346

SCHEMBL7705346

Clc1ccc(CCc2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TAAR1 Q96RJ0 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 5/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL923302 0.82 MEN1 (0.53) MEN1KMT2ATAAR1NPC1RAB9A
SCHEMBL721007 0.81 TAAR1 (0.56) TAAR1NPC1RAB9APOLBPTGS1
SCHEMBL11660292 0.80 PTGS1 (0.50) MEN1KMT2ATAAR1NPC1RAB9A
SCHEMBL21622793 0.80 LMNA (0.61) TAAR1POLBPTGS1PTGS2SMN1; SMN2
SCHEMBL2030841 0.80 TAAR1 (0.71) TAAR1NPC1RAB9APOLBPTGS1
SCHEMBL28985382 0.79 TAAR1 (0.54) TAAR1NPC1RAB9APOLBPTGS1
SCHEMBL14433475 0.78 LMNA (0.64) MEN1KMT2ATAAR1NPC1RAB9A
SCHEMBL2886837 0.78 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRCYP1A2
SCHEMBL28449371 0.77 TAAR1 (0.50) TAAR1NPC1RAB9APOLBPTGS1
SCHEMBL9864113 0.76 PTGS1 (0.50) TAAR1NPC1RAB9APOLBPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020012403-A1 AN IMPROVED PROCESS FOR DIASTER-EOSELECTIVE SYNTHESIS OF VICINAL DIAMINES Piramal Enterprises Limited (IN) 2020-01-16 WO disclosed
CN-109134219-A A method of synthesis benzil class derivative 五邑大学 2019-01-04 CN disclosed
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed
WO-1999005114-A2 1H-4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed