SCHEMBL8963317

SCHEMBL8963317

Cc1c([N+](=O)[O-])c[nH]c1C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 4/20 0.38
GPR35 Q9HC97 5/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
TTR P02766 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
SCHEMBL2388710 0.84 TSHR (0.50) KDM4ETDP1TSHRGPR35ALDH1A1
SCHEMBL19332726 0.82 CCNC (0.44) KDM4ETDP1TSHRGPR35ALDH1A1
SCHEMBL4703943 0.79 KMT2A (0.43) KDM4ETDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL7056735 0.77 HPGD (0.45) KDM4EALDH1A1SMN1; SMN2CYP1A2MEN1
SCHEMBL7811994 0.71 POLB (0.42) TDP1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4701010 0.71 POLB (0.42) TDP1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4703527 0.70 LMNA (0.40) KDM4ETDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL31124783 0.68 TSHR (0.49) TDP1TSHRGPR35ALDH1A1SMN1; SMN2
SCHEMBL20568749 0.68 MAPT (0.40) KDM4ETDP1TSHRGPR35ALDH1A1
SCHEMBL8319779 0.67 MAPT (0.46) KDM4ETDP1TSHRALDH1A1L3MBTL1

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
EP-0696287-A1 UREIDO DERIVATIVES OF NAPHTHALENEPHOSPHONIC ACIDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-02-14 EP disclosed
WO-1995023806-A2 UREIDO DERIVATIVES OF NAPHTHALENEPHOSPHONIC ACIDS AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1995-09-08 WO disclosed