SCHEMBL9714218

SCHEMBL9714218

CCCCCCOC1=CC(=O)c2cc(Sc3ccncc3)ccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
SOAT1 P35610 9/20 0.34
BCL2 P10415 3/20 0.34
MCL1 Q07820 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GCGR P47871 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL9643142 0.84 BCL2 (0.40) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9713222 0.83 PTPN1 (0.38) NPC1LMNASMN1; SMN2PTPN1SOAT1
SCHEMBL9713336 0.76 PTPN1 (0.40) PTPN1SOAT1
SCHEMBL9713644 0.76 PTPN1 (0.37) PTPN1SOAT1
SCHEMBL9713998 0.76 MAPT (0.40) LMNASMN1; SMN2BCL2MCL1CYP2C9
SCHEMBL9713322 0.74 PTPN1 (0.41) NPC1PTPN1SOAT1
SCHEMBL9714225 0.74 CYP3A4 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9713908 0.74 CDC25B (0.56) PTPN1SOAT1
SCHEMBL9628579 0.74 CDC25B (0.56) PTPN1SOAT1
SCHEMBL11247136 0.74 CDC25B (0.56) PTPN1SOAT1

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