SCHEMBL8872016

SCHEMBL8872016

CCC(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)Nc1ncc(Cl)c(C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.37
CTSA P10619 1/20 0.37
PPARG P37231 2/20 0.36
PTPN1 P18031 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
RORC P51449 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GLA P06280 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ABL1 P00519 1/20 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
SCHEMBL8873003 0.94 MME (0.36) MMECTSAPPARGPTPN1ITGB1
SCHEMBL8873617 0.90 MME (0.37) MMECTSAPPARGPTPN1ITGB1
SCHEMBL8873067 0.87 MME (0.37) MMEPPARGPTPN1ITGB1ITGA4
SCHEMBL8875663 0.86 BDKRB1 (0.40) MMEPPARGPTPN1ITGB1ITGA4
SCHEMBL8872411 0.84 MME (0.36) MMECTSAPPARGPTPN1ITGB1
SCHEMBL8872885 0.84 MME (0.37) MMEPPARGPTPN1ITGB1ITGA4
SCHEMBL9088594 0.82 L3MBTL1 (0.39) MMECTSAPPARGPTPN1ITGB1
SCHEMBL8873500 0.82 MME (0.38) MMEPPARGPTPN1ITGB1ITGA4
SCHEMBL8958543 0.82 WNT3A (0.38) L3MBTL1GLAADORA2AADORA1
SCHEMBL8872452 0.81 MME (0.36) MMECTSAPPARGPTPN1ITGB1

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