SCHEMBL9469445

SCHEMBL9469445

CCCCCCCCCCCCC(=O)N1CCCCC1CNC(=O)CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
Hydrochloric Acid SCHEMBL9469603 0.99 MEN1 (0.66) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469217 0.92 MEN1 (0.69) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL8582612 0.91 MEN1 (0.64) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469326 0.91 MEN1 (0.74) MEN1KMT2ATP53CYP1A2CYP2D6
Fumaric Acid SCHEMBL9469589 0.86 MEN1 (0.62) MEN1KMT2ATP53CYP1A2CYP2D6
Fumaric Acid SCHEMBL9469594 0.86 MEN1 (0.62) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469488 0.85 MEN1 (0.70) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9468933 0.84 MEN1 (0.77) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469803 0.84 MEN1 (0.81) MEN1KMT2ATP53CYP1A2CYP2D6
SCHEMBL9469774 0.83 MEN1 (0.74) 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