SCHEMBL9713854

SCHEMBL9713854

CC1=C(Sc2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ S100A4 P26447 6/20 0.63
▸ CDC25B P30305 9/20 0.59
▸ CDC25A P30304 8/20 0.59
▸ MAP2K7 O14733 5/20 0.59
▸ PTPN1 P18031 1/20 0.57
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ PKM P14618 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL17250423 0.89 HKDC1 (0.83) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17250424 0.86 HKDC1 (0.62) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17249990 0.86 HKDC1 (0.62) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL10502055 0.86 MAPT (0.70) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17250515 0.84 HKDC1 (0.56) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17250426 0.83 MAPT (0.58) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17249982 0.82 STAT3 (0.61) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17249984 0.82 S100A4 (0.51) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17249987 0.82 CDC25B (0.53) HKDC1MAPTMEN1KMT2ANPSR1
SCHEMBL17250526 0.80 P4HB (0.49) HKDC1MAPTMEN1KMT2ANPSR1

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 4 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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 — — US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 — — EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 — — EP disclosed
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