SCHEMBL8564476

SCHEMBL8564476

Cc1nc2c(OCc3csc(Br)c3)cccn2c1Cl

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.49
ATP4B P51164 3/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8560095 0.78 CYP1A2 (0.58) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8566537 0.77 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8560859 0.77 PPARG (0.41) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8563527 0.75 CYP1A2 (0.62) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8567556 0.75 PSEN1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6353110 0.74 CYP1A2 (0.62) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL8565905 0.73 GUCY1B2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8560872 0.71
SCHEMBL8566773 0.71
SCHEMBL8559727 0.70 PSEN1 (0.58) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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