SCHEMBL9124394

SCHEMBL9124394

S=C(Nc1ccccc1)Nc1ncccc1OCc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIA P62937 16/20 0.68
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPIF P30405 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49

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
SCHEMBL9126145 0.95 PPIA (0.75) PPIAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9125099 0.91 PPIA (0.72) PPIAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9125484 0.90 PPIA (0.61) PPIAMEN1KMT2APPIF
SCHEMBL9122377 0.89 PPIA (0.60) PPIAMEN1KMT2AHPGDALOX12
SCHEMBL9125557 0.87 PPIA (0.60) PPIAMEN1KMT2AALOX12CYP1A2
SCHEMBL9125085 0.86 PPIA (0.68) PPIAPPIF
SCHEMBL9126341 0.84 PPIA (0.56) PPIAMEN1KMT2ANOX1
SCHEMBL9126866 0.83 PPIA (0.52) PPIAMEN1KMT2AHPGDALOX12
SCHEMBL9126266 0.83 MEN1 (0.61) PPIAMEN1KMT2AHPGD
SCHEMBL9124740 0.82 PPIA (0.55) PPIAMEN1KMT2ANOX1

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
US-5464811-A Benzene derivatives substituted with heterocyclic ring and herbicides containing same as active ingredients SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-11-07 US disclosed
US-5424277-A An N-substituted-3,4,5,6-tetrahydrophthalimide derivative characterized by having a cycloalkoxy group at the 5-position of the phenyl ring on the nitrogen SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-06-13 US disclosed
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed