SCHEMBL7976779

SCHEMBL7976779

CC([N]C(N)=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.55
ALOX5 P09917 1/20 0.48
MIF P14174 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41

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
SCHEMBL6605322 0.78 TDP1 (0.45) NOS2MIFLMNAHIF1AKDM4E
SCHEMBL5219001 0.76 NOS2 (0.43) NOS2ALOX5MIFLMNACYP2D6
SCHEMBL7020087 0.74 NOS2 (0.70) NOS2ALOX5MIFTAAR1ADRA2A
Acetic Acid SCHEMBL11168239 0.73 NOS2 (0.62) NOS2ALOX5MIFLMNACYP2C19
Isopropylbenzene SCHEMBL10933955 0.73 ALOX5 (0.55) NOS2ALOX5ADRA2AADRA2CLMNA
Isopropylbenzene SCHEMBL17187547 0.73 ALOX5 (0.55) NOS2ALOX5ADRA2AADRA2CLMNA
SCHEMBL23052844 0.72 ALOX5 (0.55) NOS2ALOX5ADRA2AADRA2CLMNA
SCHEMBL362440 0.72 ALOX5 (0.55) NOS2ALOX5ADRA2AADRA2CLMNA
SCHEMBL14355196 0.72 NOS2 (0.96) NOS2ALOX5MIFADRA2AADRA2C
SCHEMBL20260341 0.72 ALOX5 (0.55) NOS2ALOX5ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO claimed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed