SCHEMBL11314439

SCHEMBL11314439

O=C(O)c1ccc(C(=O)O)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ DNA2 P51530 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CDK2 P24941 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ TYMS P04818 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ FBP1 P09467 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL30991605 1.00 TSHR (0.56) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL11440938 0.93 TSHR (0.56) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL11808349 0.92 TDP1 (0.55) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL11359085 0.87 TSHR (0.54) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL11328251 0.83 TSHR (0.50) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL11363215 0.83 TSHR (0.50) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL31401808 0.83 TSHR (0.56) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL4442634 0.83 TSHR (0.56) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL4465790 0.82 TDP1 (0.67) TSHRDNA2CASP6CTDSP1TDP1
SCHEMBL2870921 0.81 TSHR (0.62) TSHRDNA2CASP6CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271681-A Preparation method of three-dimensional porous inorganic-organic hybrid energy storage composite material 东南大学 2024-07-02 — — CN disclosed
US-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 — — US disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 — — US disclosed
US-4246422-A Naphtholactam dyestuffs CIBA-GEIGY AG (CH) 1981-01-20 — — US disclosed
US-4246410-A BENZINDOLE DYES OF YELLOW AND RED CIBA -GEIGY AKTIENGESELLSCHAFT (CH) 1981-01-20 — — US disclosed
US-4236007-A YELLOW SHADES ON POLYESTERS CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-11-25 — — US disclosed
US-4180665-A Substituted 3-benz(cd)indol-2-(1H)-ylidene-furo[2,3-b]quinoxalin-2(3H)one dyestuffs CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1979-12-25 — — US disclosed
US-4159379-A Dispersion dyestuffs of the naphtholactam series CIBA-GEIGY AG (CH) 1979-06-26 — — US disclosed
US-4148805-A POLYESTERS, RED, YELLLOW CIBA-GEIGY AG (CH) 1979-04-10 — — US disclosed
US-4146541-A YELLOW SHADE ON POLYESTERS CIBA-GEIGY AG (CH) 1979-03-27 — — US disclosed
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