SCHEMBL7704899

SCHEMBL7704899

CC1=C(N)Nc2cc(C(N)(Cc3cccc(Cl)c3)C(=O)OC(C)(C)C)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
CTSL P07711 1/20 0.32
POLB P06746 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KIF11 P52732 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RIPK1 Q13546 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
SCHEMBL7704963 0.90 CYP3A4 (0.34)
SCHEMBL7704909 0.90 MMP8 (0.31) SMN1; SMN2
SCHEMBL7711245 0.89 LTB4R (0.33) POLBSMN1; SMN2RIPK1
SCHEMBL7711358 0.89 ACE2 (0.34) MAOBKDM4E
SCHEMBL7704869 0.89 GRM2 (0.33) KDM4E
SCHEMBL7711454 0.88 FDPS (0.32)
SCHEMBL7711363 0.87 EPHX2 (0.30)
SCHEMBL7711183 0.86 NR3C2 (0.40) POLBMAOBKDM4ESMN1; SMN2
SCHEMBL7708186 0.86
SCHEMBL7708017 0.86 IDO1 (0.33) KDM4ESMN1; 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 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