SCHEMBL20017809

SCHEMBL20017809

CNCc1ccc(C=O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NOS1 P29475 4/20 0.40
NOS3 P29474 3/20 0.40
HTR7 P34969 2/20 0.40
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 1/20 0.35
ILK Q13418 1/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34

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
SCHEMBL23785507 0.84 ALDH1A1 (0.39) ALDH1A1TSHRHTR7NPC1PKM
SCHEMBL2767319 0.81 NR1H4 (0.43) ALDH1A1TSHRPDCD1CD274CYP2C19
SCHEMBL2704056 0.79 ALDH1A1 (0.45) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL13177068 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL30216932 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL21151467 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNOS1NOS3NPC1
SCHEMBL23202425 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL28987609 0.77 ALDH1A1 (0.43) ALDH1A1TSHRNPC1PKMRAB9A
SCHEMBL1253514 0.76 HTR7 (0.50) NOS1NOS3HTR7NPC1RAB9A
SCHEMBL31056330 0.76 ALDH1A1 (0.42) ALDH1A1TSHRNPC1PKMRAB9A

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-3381917-B1 IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF BELLUS HEALTH COUGH INC (CA) 2021-09-08 EP disclosed
EP-2951177-B1 IMIDAZOPYRIDINE COMPOUNDS AND USES THEREOF NEOMED INST (CA) 2018-04-04 EP disclosed