SCHEMBL9643124

SCHEMBL9643124

CCCOC1=C(OCCC)C(=O)c2c(N)cccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.51
PTPRC P08575 1/20 0.47
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ATM Q13315 3/20 0.41
FGR P09769 1/20 0.39
PIM1 P11309 1/20 0.39
MAOA P21397 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
DYRK1A Q13627 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37

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
SCHEMBL9642248 0.92 ADORA2A (0.50) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL9642511 0.91 ADORA2A (0.49) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL9641755 0.90 ADORA2A (0.55) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL9642689 0.89 ADORA2A (0.47) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL9641981 0.82 ADORA2A (0.50) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL15293052 0.81 MEN1 (0.52) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL9643116 0.81 TP53 (0.41) RAB9ANPC1MAPTELANEPTPN1
SCHEMBL9643191 0.79 ADORA2A (0.50) ADORA2APTPRCRAB9ANPC1ATM
SCHEMBL9641989 0.79 CDC25B (0.52) PTPRCRAB9ANPC1MAOACYP1A2
SCHEMBL9641734 0.78 ADORA2A (0.60) ADORA2APTPRCRAB9ANPC1ATM

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-4442127-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1984-04-10 US disclosed