SCHEMBL9643295

SCHEMBL9643295

COC1=C(OC)C(=O)c2c(S[n+]3ccccc3C)cccc2C1=O.COS(=O)(=O)[O-]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CDC25A P30304 2/20 0.38
CDC25B P30305 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
MAP2K7 O14733 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL9714034 0.86 IDO1 (0.42) MAPTALDH1A1CDC25ACDC25BLMNA
SCHEMBL9643318 0.81 MAPT (0.36) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL9641818 0.74 CDC25A (0.37) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL9643376 0.71 MAPT (0.53) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL9714052 0.69 CDC25A (0.40) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL10337086 0.67 ALDH1A1 (0.36) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL9641819 0.67 MAPT (0.71) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL9641920 0.66 MAPT (0.47) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL11142654 0.65 MAPT (0.49) MAPTALDH1A1KDM4ECDC25ACDC25B
SCHEMBL9643244 0.65 MAPT (0.49) MAPTALDH1A1KDM4ECDC25ACDC25B

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 11 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-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed
US-4419368-A 2,2,3,3-TETRAHYDROXY- SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed