SCHEMBL17411983

SCHEMBL17411983

O=C(Nc1ccc([N+](=O)O)cc1Cl)c1ccc2ccccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.55
NOD1 Q9Y239 3/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.53
HTT P42858 2/20 0.52
RORC P51449 1/20 0.50
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL3243499 0.90 MEN1 (0.67) TNFNOD1MEN1MAPTKMT2A
SCHEMBL29617471 0.90 MEN1 (0.67) TNFNOD1MEN1MAPTKMT2A
SCHEMBL11339110 0.81 MEN1 (0.68) TNFNOD1MEN1MAPTKMT2A
SCHEMBL16138724 0.80 RAB9A (0.49) TNFNOD1MEN1MAPTKMT2A
SCHEMBL24460157 0.79 MEN1 (0.55) TNFNOD1MEN1MAPTKMT2A
SCHEMBL18341404 0.79 P2RX1 (0.65) TNFNOD1MEN1MAPTKMT2A
SCHEMBL29617489 0.79 P2RX1 (0.65) TNFNOD1MEN1MAPTKMT2A
SCHEMBL17411509 0.78 RAB9A (0.48) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL16138819 0.78 ALDH1A1 (0.51) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL24460193 0.76 MAPT (0.67) TNFNOD1MEN1MAPTKMT2A

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
WO-2016004363-A2 METHODS AND COMPOSITIONS FOR TREATING OBESITY, PREVENTING WEIGHT GAIN, PROMOTING WEIGHT LOSS, PROMOTING SLIMMING, OR TREATING OR PREVENTING THE DEVELOPMENT OF DIABETES NAN Global, LLC (US) 2016-01-07 WO disclosed