SCHEMBL8694501

SCHEMBL8694501

O=C(O)[C@@H](N[N+](=O)[O-])C(c1ccc(O)cc1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.37
ADAMTS4 O75173 1/20 0.35
FOLH1 Q04609 1/20 0.34
APP P05067 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 1/20 0.31
FBP1 P09467 1/20 0.31
CNR1 P21554 1/20 0.31

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
Hydrochloric Acid SCHEMBL28900480 0.80 FOLH1 (0.36) SRCADAMTS4FOLH1APPCYP3A4
SCHEMBL7678184 0.76 TDP1 (0.40) SRCCYP2C9CYP2C19CA1CA2
SCHEMBL457188 0.76 TDP1 (0.40) SRCCYP2C9CYP2C19CA1CA2
SCHEMBL4131151 0.76 CTSS (0.41) APPCA2KMT2AALDH1A1NPC1
SCHEMBL28664391 0.73 SRC (0.38) SRCAPPCYP3A4CYP2C9CYP2C19
SCHEMBL1586226 0.68 CYP2D6 (0.39) KMT2AALDH1A1GAATDP1CNR1
SCHEMBL38173 0.67 FOLH1 (0.51) FOLH1CA1CA2NAALAD2KMT2A
SCHEMBL38174 0.67 FOLH1 (0.51) FOLH1CA1CA2NAALAD2KMT2A
SCHEMBL7564093 0.66 SRC (0.39) SRCCYP3A4CYP2C9CYP2C19CA1
SCHEMBL5521344 0.66 ESR1 (0.46) CYP3A4CYP2C9CYP2C19TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102333536-A Ss-arrestin effectors and compositions and methods of use thereof TREVENA INC 2012-01-25 CN claimed
CN-102333536-A Ss-arrestin effectors and compositions and methods of use thereof TREVENA INC 2012-01-25 CN disclosed
US-5710129-A Inhibitors of SH2-mediated processes ARIAD PHARMACEUTICALS, INC. (US) 1998-01-20 US disclosed
WO-1997031016-A2 NEW INHIBITORS OF SH2-MEDIATED PROCESSES ARIAD PHARMACEUTICALS, INC. (US) 1997-08-28 WO disclosed