SCHEMBL10503501

SCHEMBL10503501

CCCCCCC1=C(CCCCCC)C(=S)c2ccc(Cl)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.42
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
OXER1 Q8TDS5 3/20 0.36
CNR1 P21554 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL9713423 0.77 PTPN1 (0.46) S100A4HSP90AA1KMT2AKDM4EMEN1
SCHEMBL9627893 0.70 MAOA (0.45) KMT2AKDM4EMEN1HPGDALDH1A1
SCHEMBL9627459 0.70 S100A4 (0.50) S100A4HSP90AA1KMT2AMEN1HTT
SCHEMBL9627527 0.70 S100A4 (0.50) S100A4HSP90AA1KMT2AMEN1HTT
SCHEMBL9643287 0.70 PTPN1 (0.50) S100A4KMT2AMEN1GAAALDH1A1
SCHEMBL10503490 0.69 SOAT1 (0.46) S100A4HSP90AA1KMT2AKDM4EMEN1
SCHEMBL9642710 0.68 PTPN1 (0.51) S100A4HSP90AA1KMT2AMEN1GAA
SCHEMBL10502720 0.67 S100A4 (0.55) S100A4HSP90AA1ALDH1A1
SCHEMBL9627508 0.67 PTPN1 (0.54) GAAHTTALDH1A1USP2MAPT
SCHEMBL10956573 0.67 PTPN1 (0.54) GAAHTTALDH1A1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 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