SCHEMBL28050802

SCHEMBL28050802

CCCCCn1c2ccccc2c2cc(C(C)=O)ccc21

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.77
CNR1 P21554 1/20 0.69
NPC1 O15118 1/20 0.66
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65

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
SCHEMBL28053878 0.99 CNR2 (0.75) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL28050803 0.99 CNR2 (0.75) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL28050793 0.99 CNR2 (0.75) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL28386085 0.99 CNR2 (0.75) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL27832072 0.99 CNR2 (0.75) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL28394599 0.99 CNR2 (0.75) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL27918668 0.96 CNR2 (0.70) CNR2CNR1NPC1ALDH1A1HPGD
SCHEMBL28018427 0.92 CNR2 (0.64) CNR2CNR1NPC1HPGD
SCHEMBL28007398 0.91 CNR2 (0.64) CNR2CNR1
SCHEMBL28007691 0.91 CNR2 (0.64) CNR2CNR1

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
CN-105418484-A Preparation method of 3-formyl(acetyl)-N-alkyl carbazole semicarbazide (thiosemicarbazide) Schiff base UNIV SHAANXI SCIENCE & TECH 2016-03-23 CN disclosed