SCHEMBL10340370

SCHEMBL10340370

COc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ MAPT P10636 5/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPK1 P28482 3/20 0.58
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ AKR1C3 P42330 2/20 0.49
▸ AKR1C2 P52895 2/20 0.49
▸ MCOLN3 Q8TDD5 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49

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
SCHEMBL2336139 0.89 HTR7 (0.56) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL11188343 0.86 HTR7 (0.54) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL99419 0.86 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL5688128 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL11188342 0.86 L3MBTL1 (0.53) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL1662886 0.86 ALDH1A1 (0.65) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL225789 0.85 GSTP1 (0.58) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL9886979 0.84 RAB9A (0.50) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL11199415 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL31557643 0.83 CYP24A1 (0.49) ALDH1A1MAPTKDM4EMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236215-B1 2,2'-DIFLUORO-4-ALKOXY-4'-HYDROXY BIPHENYLS AND THEIR DERIVATIVES, THEIR PRODUCTION PROCESS AND THEIR USE IN LIQUID CRYSTAL DISPLAY DEVICES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1990-01-10 — — EP claimed
US-4895986-A CHEMICAL INTERMEDIATE COMMISSARIAT A L'ENERGIE (FR) 1990-01-23 — — US disclosed
US-4795579-A 2,2'-difluoro-4-alkoxy-4'-hydroxydiphenyls and their derivatives, their production process and their use in liquid crystal display devices COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1989-01-03 — — US disclosed
US-4369318-A USING A BENZO-OR PYRIDO-CINNOLINES AS BLEACH CATALYST CIBA-GEIGY LTD. (CH) 1983-01-18 — — US disclosed
US-4266011-A FUSED PYRIDAZINE CATALYST CIBA-GEIGY AG (CH) 1981-05-05 — — US disclosed
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