SCHEMBL9713898

SCHEMBL9713898

COC1=CC(=O)c2c(cccc2[S+]([O-])c2cc(C)ccn2)C1=O.COS(=O)(=O)O

nearest known ligand 0.36

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
CDC25A P30304 2/20 0.36
CDC25B P30305 2/20 0.36
IDO1 P14902 1/20 0.36
TDP2 O95551 2/20 0.35
NSD2 O96028 2/20 0.35
PAX8 Q06710 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 2/20 0.32
PTPN1 P18031 1/20 0.32
GAPDH P04406 1/20 0.31
S100A4 P26447 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL10337087 0.87 KDM4E (0.32) CDC25ACDC25BIDO1HKDC1ATG4B
SCHEMBL9644158 0.82 GABRP (0.32) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL9714048 0.77 IDO1 (0.37) CDC25ACDC25BIDO1TDP2NSD2
SCHEMBL9713893 0.70 IDO1 (0.42) CDC25ACDC25BIDO1TDP2NSD2
SCHEMBL9713892 0.68 CDC25A (0.40) CDC25ACDC25BIDO1TDP2NSD2
SCHEMBL9714023 0.65 IDO1 (0.42) CDC25ACDC25BIDO1TDP2NSD2
SCHEMBL30002656 0.65 CDC25A (0.61) CDC25ACDC25BIDO1TDP2NSD2
SCHEMBL8579585 0.65 CDC25A (0.61) CDC25ACDC25BIDO1TDP2NSD2
SCHEMBL9643315 0.64 NOTUM (0.35) CDC25ACDC25BIDO1NSD2HKDC1
SCHEMBL5175513 0.64 GAPDH (0.66) CDC25ACDC25BIDO1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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