SCHEMBL9468950

SCHEMBL9468950

CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](N)CCCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
MAPT P10636 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
GALR3 O60755 1/20 0.45
TLR2 O60603 1/20 0.44

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
SCHEMBL9469077 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469286 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469673 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9468782 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9468961 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469386 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9468929 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL2746909 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9468818 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469806 1.00 MEN1 (1.00) MEN1KMT2ATP53CYP1A2CYP2D6

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
WO-1992003415-A1 PROTEIN KINASE C MODULATORS NOVA PHARMACEUTICAL CORPORATION (US) 1992-03-05 WO claimed
US-5189046-A Antiinflammatory agents, anticonvulsants NOVA PHARMACEUTICAL CORPORATION (US) 1993-02-23 US disclosed
WO-1992003415-A1 PROTEIN KINASE C MODULATORS NOVA PHARMACEUTICAL CORPORATION (US) 1992-03-05 WO disclosed