SCHEMBL9643000

SCHEMBL9643000

O=C1C(Oc2ccc(Cl)cc2)=C(Oc2ccc(Cl)cc2)C(=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 3/20 0.56
▸ S100A4 P26447 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ BCHE P06276 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ PDE7A Q13946 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CAPN9 O14815 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL9642158 0.87 PTPRC (0.66) PTPRCS100A4CES1BCHEACHE
SCHEMBL9642921 0.86 PTPRC (0.56) PTPRCS100A4CES1BCHEACHE
SCHEMBL9642937 0.82 PTPRC (0.52) PTPRCS100A4CES1BCHEACHE
SCHEMBL9642962 0.81 S100A4 (0.58) S100A4CES1ALDH1A1MAPTCYP1A2
SCHEMBL1800275 0.80 LMNA (0.55) PTPRCS100A4CES1BCHEACHE
SCHEMBL9641834 0.78 PTPRC (0.54) PTPRCS100A4CES1BCHEACHE
SCHEMBL8563967 0.77 NSD2 (0.66) PTPRCS100A4CES1BCHEACHE
SCHEMBL1287136 0.76 PTPRC (0.71) PTPRCS100A4CES1BCHEACHE
SCHEMBL30583797 0.76 PTPRC (0.71) PTPRCS100A4CES1BCHEACHE
SCHEMBL9654602 0.76 HSPB1 (0.60) CES1ALDH1A1MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 — — EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 — — US disclosed
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 — — EP disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 — — US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 — — EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 — — US disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 — — EP disclosed
Send feedback