SCHEMBL11073074

SCHEMBL11073074

Cc1cn2cccc(OCc3c(C)cccc3C)c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
PPARG P37231 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 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
SCHEMBL2191580 0.89 CYP3A4 (0.48) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6356723 0.87 CYP3A4 (0.49) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8562316 0.86 HSD11B1 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8565013 0.86 GUCY1B2 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8567739 0.86 CYP1A2 (0.45) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL8814103 0.85 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL9749030 0.85 PSEN1 (0.53) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL2189993 0.82 ATP4A (0.60) CYP3A4CYP2C9CYP1A2CYP2D6RAB9A
SCHEMBL8563420 0.82 PPARG (0.46) PPARG
SCHEMBL8561996 0.82 PPARG (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033094-B1 IMIDAZO(1,2-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-10-10 EP disclosed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US disclosed
EP-0033094-A1 Imidazo(1,2-a)pyridines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-08-05 EP disclosed