SCHEMBL7304675

SCHEMBL7304675

CC/C(=C\c1ccccc1)CCl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 2/20 0.38
FBP1 P09467 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL7304680 1.00 NR1I2 (0.44) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL59713 0.87 KDM1A (0.48) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL8467955 0.87 FBP1 (0.42) NR1I2MEN1KMT2AALDH1A1TSHR
SCHEMBL7292401 0.84 LMNA (0.45) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL7292404 0.84 LMNA (0.45) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL28293058 0.81 TRPA1 (0.52) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL28472907 0.81 TRPA1 (0.52) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL6859832 0.80 LMNA (0.57) MEN1KMT2ALMNATDP1NPC1
SCHEMBL9312061 0.79 LMNA (0.47) NR1I2KDM1AMEN1KMT2AALDH1A1
SCHEMBL17329401 0.79 KDM1A (0.47) NR1I2KDM1AMEN1KMT2AALDH1A1

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
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
EP-0108627-A2 Cephalosporin derivatives and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-16 EP disclosed