SCHEMBL8884587

SCHEMBL8884587

C=CCN(Cc1ccc(-c2ccccc2C#N)cc1)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.49
AGTR2 P50052 6/20 0.49
CTSB P07858 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
AXL P30530 1/20 0.34
FLT3 P36888 1/20 0.34
MERTK Q12866 1/20 0.34
GSK3A P49840 2/20 0.33

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
SCHEMBL8883985 0.85 AGTR1 (0.49) AGTR1AGTR2CTSBKDM4EALDH1A1
SCHEMBL9854360 0.83 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL9854247 0.77 AGTR1 (0.42) AGTR1AGTR2CTSBKDM4EALDH1A1
SCHEMBL8597959 0.77 PDE10A (0.44) AGTR1AGTR2KDM4EALDH1A1MEN1
SCHEMBL9854356 0.76 LTB4R2 (0.48) AGTR1AGTR2TP53RXFP1
SCHEMBL9854346 0.75 LMNA (0.47) AGTR1AGTR2KDM4ETP53LMNA
SCHEMBL8872918 0.75 AGTR1 (0.42) AGTR1AGTR2CTSBKDM4ETP53
SCHEMBL9854329 0.73 AGTR1 (0.42) AGTR1AGTR2ALDH1A1MAPT
SCHEMBL2473074 0.72 ALDH1A1 (0.55) AGTR1AGTR2CTSBKDM4EALDH1A1
SCHEMBL8885423 0.70 NPC1 (0.44) ALDH1A1MEN1MAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 EP claimed
US-5700938-A Intermediates for imidazopyridine derivatives EISAI CO., LTD. (JP) 1997-12-23 US disclosed
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