SCHEMBL7705086

SCHEMBL7705086

CC1=C(N)Nc2cc(C(C)(NC(=O)OC(C)(C)C)c3cccc4ccccc34)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ALOX5 P09917 1/20 0.32
SSTR4 P31391 2/20 0.32
MAPK10 P53779 1/20 0.31
NQO2 P16083 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4A O75164 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7708334 0.81 ALDH1A1 (0.32) MAPK10GAA
SCHEMBL7711551 0.81 NPC1 (0.33) KMT2AMAPK10NPC1RAB9A
SCHEMBL7708185 0.80 PARP1 (0.40) NPSR1MEN1KMT2AATMSSTR4
SCHEMBL7710849 0.79 MAPK10 (0.31) MAPK10
Hydrochloric Acid SCHEMBL7002857 0.78
SCHEMBL7705092 0.76 NPSR1 (0.36) NPSR1MEN1KMT2AATMSSTR4
SCHEMBL7704890 0.71 CTSK (0.32) ALOX5
SCHEMBL7710991 0.70 CTSK (0.32)
SCHEMBL7988325 0.67 ALDH1A1 (0.36) MEN1KMT2ANPC1GAARAB9A
SCHEMBL4262988 0.67 MEN1 (0.43) MEN1KMT2AATMSSTR4NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed