SCHEMBL8949946

SCHEMBL8949946

Cc1cnc(NC(=O)C2CC2Cc2ccc(-c3ccccc3C#N)cc2)c([N+](=O)[O-])c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.39
MAP4K1 Q92918 7/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ADAM17 P78536 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
MYC P01106 1/20 0.33
WDR5 P61964 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL8872938 0.92 ABL1 (0.38) ABL1MAP4K1ITGB1ITGA4ADAM17
SCHEMBL8872200 0.92 ABL1 (0.38) ABL1MAP4K1ITGB1ITGA4ADAM17
SCHEMBL8874542 0.89 BDKRB1 (0.39) ABL1MAP4K1ITGB1ITGA4ADAM17
SCHEMBL8872711 0.86 LMNA (0.35) ABL1ITGB1ITGA4ADAM17MYC
SCHEMBL8873694 0.86 LMNA (0.35) ABL1MAP4K1ITGB1ITGA4ADAM17
SCHEMBL8872985 0.85 ABL1 (0.37) ABL1MAP4K1ITGB1ITGA4ADAM17
SCHEMBL8958444 0.83 WNT3A (0.37) ABL1MAP4K1
SCHEMBL8958388 0.83 WNT3A (0.37) ABL1MAP4K1GSK3AGSK3B
SCHEMBL8879710 0.78 BDKRB1 (0.39) BDKRB1
SCHEMBL8873195 0.78 BDKRB1 (0.39) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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