SCHEMBL7560618

SCHEMBL7560618

O=C(O)c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CASP6 P55212 2/20 0.46
▸ DTYMK P23919 1/20 0.45
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HCAR3 P49019 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DNA2 P51530 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MYC P01106 1/20 0.37

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
SCHEMBL246196 0.85 DTYMK (0.49) TSHRLMNACASP6DTYMKPOLB
SCHEMBL7013577 0.84 LMNA (0.44) TSHRLMNACASP6POLBTDP1
SCHEMBL6070445 0.80 SIRT6 (0.43) TSHRLMNAPOLBTDP1ALDH1A1
SCHEMBL28683195 0.79 TSHR (0.34) TSHRLMNACASP6TDP1ALDH1A1
SCHEMBL57882 0.76 TSHR (0.40) TSHRCASP6POLBTDP1ALDH1A1
SCHEMBL1028675 0.75 GPR35 (0.47) TSHRLMNATDP1ALDH1A1CYP3A4
SCHEMBL6800906 0.74 TDP1 (0.38) TSHRPOLBTDP1ALDH1A1CYP3A4
SCHEMBL490677 0.73 ALDH1A1 (0.48) TSHRPOLBTDP1ALDH1A1ALOX15
SCHEMBL6197923 0.72 KDM4E (0.44) CASP6POLBTDP1ALDH1A1CYP3A4
SCHEMBL1028967 0.72 TDP1 (0.50) TSHRLMNAPOLBTDP1ALDH1A1

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-2002005616-A1 NOVEL 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-01-24 — — WO disclosed
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