SCHEMBL3714951

SCHEMBL3714951

O=CCc1cc([N+](=O)[O-])c(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.38
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
USP7 Q93009 2/20 0.33
GPR35 Q9HC97 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 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
SCHEMBL27731817 0.76 USP7 (0.35) VCAM1TSHRMAPK1USP7KDM4E
SCHEMBL3712491 0.75 USP7 (0.56) USP7
SCHEMBL3715750 0.74 USP7 (0.57) USP7MEN1KMT2ATDP1POLB
SCHEMBL5147306 0.74 GSK3B (0.38)
SCHEMBL3712957 0.73 USP7 (0.58) USP7
SCHEMBL3715170 0.73 S1PR4 (0.45) TSHRMAPK1USP7KDM4EMEN1
SCHEMBL2681533 0.73 VCAM1 (0.44) VCAM1TSHRMAPK1GPR35KDM4E
SCHEMBL3716798 0.72 USP7 (0.59) USP7KDM4EMAPTKMT2ALMNA
SCHEMBL3716279 0.72 USP7 (0.59) USP7
SCHEMBL3716051 0.72 USP7 (0.42) USP7

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-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO disclosed