SCHEMBL10502004

SCHEMBL10502004

CSC1=C(SC)C(=O)c2cc(N)ccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ TSHR P16473 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAP2K7 O14733 1/20 0.57
▸ CDC25A P30304 1/20 0.57
▸ CDC25B P30305 1/20 0.57
▸ PTPRC P08575 2/20 0.57
▸ S100A4 P26447 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ APAF1 O14727 1/20 0.57
▸ TDP2 O95551 1/20 0.57
▸ NSD2 O96028 1/20 0.57

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
SCHEMBL10503214 0.81 NPC1 (0.55) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL3135129 0.80 NPC1 (0.86) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL516210 0.80 NPC1 (0.86) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL28005394 0.78 NPC1 (0.82) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL31087632 0.76 NPC1 (0.78) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL9019017 0.76 NPC1 (0.78) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL10502712 0.76 S100A4 (0.59) NPC1RAB9AMAP2K7CDC25ACDC25B
SCHEMBL30350052 0.75 NPC1 (0.77) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL7915048 0.75 PTPRC (0.82) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2
SCHEMBL5551699 0.75 S100A4 (0.82) NPC1ALDH1A1RAB9ATSHRSMN1; SMN2

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 6 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
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
Send feedback