SCHEMBL9627597

SCHEMBL9627597

O=C1C(Cl)=C(c2ccccc2)C(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.62
DNMT1 P26358 1/20 0.62
DNMT3L Q9UJW3 1/20 0.62
DNMT3A Q9Y6K1 1/20 0.62
MAPT P10636 5/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MITF O75030 2/20 0.55
HTT P42858 2/20 0.55
P2RX7 Q99572 1/20 0.52
LMNA P02545 4/20 0.52
HSP90AA1 P07900 4/20 0.52
HSP90AB1 P08238 3/20 0.52
GAA P10253 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
XBP1 P17861 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HKDC1 Q2TB90 2/20 0.50

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
SCHEMBL13116693 0.91 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL5139129 0.91 IDO1 (0.62) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL16745430 0.86 IDO1 (0.75) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL13417405 0.86 CYP2D6 (0.60) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL29881216 0.86 IDO1 (0.75) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL5497788 0.84 MAPT (0.65) MAPTNPSR1ALDH1A1MITFHTT
SCHEMBL11017595 0.82 HPGD (0.56) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL740371 0.79 FGFR1 (0.61) MAPTNPSR1ALDH1A1MITFHTT
Dichlon SCHEMBL29360991 0.78 IDO1 (1.00) IDO1DNMT1DNMT3LDNMT3AMAPT
Dichlon SCHEMBL45723 0.78 IDO1 (1.00) IDO1DNMT1DNMT3LDNMT3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015172076-A1 NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-11-12 WO disclosed
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed
US-4507241-A Method for the hydrocarbylation of naphthoquinone derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-03-26 US disclosed