SCHEMBL11650787

SCHEMBL11650787

C=Cc1c(C(=O)O)ccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.44
TSHR P16473 4/20 0.41
CASP6 P55212 1/20 0.41
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HCAR3 P49019 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL12495244 0.83 TSHR (0.55) DTYMKTSHRCASP6ALDH1A1TDP1
SCHEMBL304470 0.81 CASP6 (0.55) DTYMKTSHRCASP6GPR35ALDH1A1
SCHEMBL27501298 0.79 CASP6 (0.53) DTYMKTSHRCASP6GPR35ALDH1A1
SCHEMBL5648725 0.79 TSHR (0.58) DTYMKTSHRCASP6GPR35ALDH1A1
SCHEMBL537538 0.76 DTYMK (0.49) DTYMKTSHRCASP6GPR35ALDH1A1
SCHEMBL15622 0.76 DTYMK (0.49) DTYMKTSHRCASP6GPR35ALDH1A1
SCHEMBL11622639 0.75 DTYMK (0.42) DTYMKTSHRCASP6ALDH1A1TDP1
SCHEMBL11650788 0.75 ALDH1A1 (0.41) DTYMKTSHRCASP6ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL2373499 0.75 DTYMK (0.47) DTYMKTSHRCASP6GPR35ALDH1A1
SCHEMBL8063523 0.75 ALDH1A1 (0.49) DTYMKTSHRCASP6GPR35ALDH1A1

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
US-4076526-A Photoconductive N-vinyl carbazole copolymers and process for preparing same THE SHERWIN-WILLIAMS COMPANY (US) 1978-02-28 US claimed