SCHEMBL10935013

SCHEMBL10935013

O=C1c2c(Cl)ccc(Nc3ccccc3)c2C(=O)c2c([N+](=O)[O-])ccc(Cl)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ CYP3A4 P08684 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ WNK1 Q9H4A3 1/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ MYC P01106 1/20 0.49
▸ IDO1 P14902 1/20 0.49
▸ HCAR3 P49019 1/20 0.47
▸ CXCR2 P25025 1/20 0.46

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
SCHEMBL11037999 0.83 CYP3A4 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL11367014 0.83 CYP3A4 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL29856171 0.83 CYP3A4 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL11796394 0.83 CYP3A4 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL5488348 0.83 CYP3A4 (0.68) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL6824378 0.82 TSHR (0.60) TDP1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL10726245 0.82 TSHR (0.60) TDP1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL5187677 0.82 TSHR (0.60) TDP1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL12862803 0.80 CYP3A4 (0.61) L3MBTL1TDP1ALDH1A1MAPK1CASP7
SCHEMBL9846540 0.79 MAPT (0.53) L3MBTL1TDP1ALDH1A1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049035-B1 ORGANIC COMPOSITIONS SUITABLE FOR A GUEST-HOST LIQUID CRYSTAL DEVICE The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-10-23 — — EP disclosed
US-4405211-A CLOCKS; DISPLAYING; OPTICAL APPARATUS; ELECTRICAL THIN FILMS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1983-09-20 — — US disclosed
EP-0049035-A1 Organic compositions suitable for a guest-host liquid crystal device The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-04-07 — — EP disclosed
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