SCHEMBL8872452

SCHEMBL8872452

CCCC(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)Nc1nc(C)c(Cl)c(C)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PPARG P37231 4/20 0.35
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PTPN1 P18031 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32

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
SCHEMBL8873067 0.94 MME (0.37) MMELMNATP53PPARGITGB1
SCHEMBL8872477 0.91 MME (0.36) MMELMNATP53PPARGITGB1
SCHEMBL8873003 0.88 MME (0.36) MMEPPARGITGB1ITGA4L3MBTL1
SCHEMBL8873275 0.86 MME (0.37) MMETP53PPARGITGB1ITGA4
SCHEMBL8958734 0.84 ADORA1 (0.37) LMNATP53PPARGALDH1A1HTT
SCHEMBL8872411 0.84 MME (0.36) MMEPPARGITGB1ITGA4L3MBTL1
SCHEMBL8872885 0.84 MME (0.37) MMELMNATP53PPARGITGB1
SCHEMBL8872821 0.83 BDKRB1 (0.39) MMEPPARGITGB1ITGA4L3MBTL1
SCHEMBL8872016 0.81 MME (0.37) MMEPPARGITGB1ITGA4L3MBTL1
SCHEMBL8873500 0.79 MME (0.38) MMETP53PPARGITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5608068-A Process for the preparation of imidazopyridine derivatives and intermediates EISAI CO., LTD. (JP) 1997-03-04 US disclosed
US-5587504-A Sulfonyloxy-biphenylcarboxylic ester derivatives which are intermediates EISAI CO., LTD. (JP) 1996-12-24 US disclosed
US-5583229-A Process for the preparation of imidazopyridine derivatives EISAI CO., LTD. (JP) 1996-12-10 US disclosed
US-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5557002-A Process for the preparation of biphenyl containing intermediates useful in making angiotensin II receptor antagonists EISAI CO., LTD. (JP) 1996-09-17 US disclosed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 EP disclosed