SCHEMBL7978624

SCHEMBL7978624

O=C1OC(c2ccc(Cl)cc2Cl)CC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
APEX1 P27695 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 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
SCHEMBL7976878 0.76 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL7965208 0.75 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTHTR2A
SCHEMBL7965214 0.66 KDM4E (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL11313947 0.66 SLC6A2 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL9172078 0.64 ALDH1A1 (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL701484 0.63 MEN1 (0.38) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL6938300 0.63 MEN1 (0.38) CYP1A2CYP2C19NPSR1SLC6A2SLC6A4
SCHEMBL702297 0.63 MAPT (0.36) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10362291 0.63 TP53 (0.43) NPSR1ALDH1A1MAPK1TSHRMEN1
SCHEMBL9651481 0.62 ALDH1A1 (0.42) ALDH1A1TDP1MEN1KMT2AMAPT

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-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO claimed