SCHEMBL9854247

SCHEMBL9854247

N#Cc1ccccc1-c1ccc(CN(C(=O)C2CC2)c2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.42
AGTR2 P50052 3/20 0.42
NR1H4 Q96RI1 4/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABL1 P00519 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CPB1 P15086 1/20 0.35

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
SCHEMBL9854346 0.96 LMNA (0.47) AGTR1AGTR2NR1H4LMNASMN1; SMN2
SCHEMBL8874537 0.85 NR1H4 (0.42) AGTR1AGTR2NR1H4LMNASMN1; SMN2
SCHEMBL9854356 0.82 LTB4R2 (0.48) AGTR1AGTR2TP53RXFP1
SCHEMBL8872918 0.82 AGTR1 (0.42) AGTR1AGTR2TP53KDM4ERXFP1
SCHEMBL8949943 0.81 OXTR (0.39) NR1H4OXTRAVPR1AABL1FFAR1
SCHEMBL8872195 0.80 NR1H4 (0.38) NR1H4OXTRAVPR1AABL1FFAR1
SCHEMBL8872931 0.80 ABL1 (0.37) NR1H4OXTRAVPR1AABL1FFAR1
SCHEMBL8872980 0.79 OXTR (0.39) NR1H4OXTRAVPR1AABL1ALDH1A1
SCHEMBL8872708 0.79 OXTR (0.37) NR1H4OXTRAVPR1AKDM4EABL1
SCHEMBL8873692 0.78 OXTR (0.37) NR1H4OXTRAVPR1AKDM4EABL1

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
EP-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed