SCHEMBL8562252

SCHEMBL8562252

CNc1cc(Cl)c(CO)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
CYP3A4 P08684 2/20 0.32
NPC1 O15118 2/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 3/20 0.31
LMNA P02545 3/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
EGFR P00533 1/20 0.31
ESR1 P03372 1/20 0.31
ERBB2 P04626 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL320641 0.73 TSHR (0.37) NPC1HPGDCYP2C19SMN1; SMN2CYP2C9
SCHEMBL8440890 0.73 HSD17B10 (0.50) NR1H4CYP3A4NPC1CYP1A2HPGD
SCHEMBL19987627 0.72 MEN1 (0.35) NPC1SMN1; SMN2RAB9ATSHRMEN1
SCHEMBL4697344 0.72 SUV39H2 (0.38) NR1H4CYP3A4POLBLMNATSHR
SCHEMBL320021 0.72 TSHR (0.48) CYP3A4CYP1A2HPGDSMN1; SMN2CYP2C9
SCHEMBL2094269 0.72 RAPGEF4 (0.46) NR1H4CYP3A4NPC1CYP1A2HPGD
SCHEMBL4912906 0.72 TTR (0.48) CYP3A4NPC1CYP1A2HPGDCYP2C19
SCHEMBL14639853 0.70 RAPGEF4 (0.35) NR1H4CYP2C19SMN1; SMN2CYP2C9LMNA
SCHEMBL522619 0.70 ACHE (0.43) CYP3A4NPC1CYP1A2HPGDCYP2C19
SCHEMBL5940300 0.70 HSD17B10 (0.52) CYP3A4NPC1CYP1A2HPGDCYP2C19

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-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed