SCHEMBL8559225

SCHEMBL8559225

O=[C]C(=Cc1ccccc1)NC(=O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CYP2C9 P11712 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 4/20 0.51
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1B1 Q16678 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL7666651 0.85 GLA (0.60) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL8562016 0.85 KMT2A (0.51) MAPTKMT2ACYP2C9ALDH1A1CYP2C19
SCHEMBL29011921 0.77 GAA (0.71) KMT2ANPC1RAB9ACYP2C9ALDH1A1
SCHEMBL27501942 0.77 CYP11B2 (0.54) MAPTKMT2ANPC1RAB9ACYP2C9
SCHEMBL2000041 0.75 HDAC1 (0.74) MAPTCYP2C9ALDH1A1GAAALPL
SCHEMBL8559227 0.75 ALDH1A1 (0.78) MAPTKMT2ANPC1RAB9ACYP2C9
SCHEMBL6976661 0.75 NPC1 (0.54) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL5793445 0.74 HDAC1 (0.67) KMT2ANPC1RAB9ACYP2C9ALDH1A1
SCHEMBL10660987 0.72 GAA (0.71) KMT2AALDH1A1GAAALPLALPI
SCHEMBL10660983 0.72 GAA (0.71) KMT2AALDH1A1GAAALPLALPI

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 2 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
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed