SCHEMBL8566987

SCHEMBL8566987

Cc1cn2cccc(OCc3cc([N+](=O)[O-])ccc3Cl)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
PPARG P37231 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
BDKRB2 P30411 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL10675888 0.84 NPC1 (0.51) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL8569543 0.82 BDKRB2 (0.55) BDKRB2
SCHEMBL9747708 0.81 PPARG (0.44) LMNAMAPTALDH1A1PPARGHPGD
SCHEMBL10672923 0.81 HTR1A (0.44) LMNAMAPTRAB9APKMSMN1; SMN2
SCHEMBL8562786 0.80 PPARG (0.40) LMNAMAPTRAB9APKMPPARG
SCHEMBL8566749 0.80 PPARG (0.40) PPARG
SCHEMBL8564104 0.79 LMNA (0.41) LMNAMAPTRAB9APKMALDH1A1
SCHEMBL9748883 0.78 PTGER1 (0.44) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2191240 0.77 PPARG (0.67) MAPTRAB9AALDH1A1PPARGNPC1
SCHEMBL8367532 0.77 MEN1 (0.69) ALDH1A1KMT2AMEN1BDKRB2NPC1

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