SCHEMBL29616405

SCHEMBL29616405

Nc1ccccc1C#Cc1ccccc1C#Cc1ccc(C#Cc2ccccc2C#Cc2ccccc2N)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.83
MAPT P10636 3/20 0.83
ALDH1A1 P00352 3/20 0.83
CYP1A2 P05177 3/20 0.83
CYP2C9 P11712 3/20 0.83
CYP2C19 P33261 3/20 0.83
KDM4E B2RXH2 2/20 0.83
NPC1 O15118 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
MEN1 O00255 1/20 0.83
HPGD P15428 1/20 0.83
KMT2A Q03164 1/20 0.83
HSD17B10 Q99714 1/20 0.83
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
GFER P55789 1/20 0.56
APP P05067 3/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL29428987 0.93 MAPT (0.95) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL29532077 0.91 CYP3A4 (1.00) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL929235 0.91 CYP3A4 (1.00) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL29428994 0.87 MAPT (0.70) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL29087860 0.87 ALDH1A1 (0.70) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL28686564 0.87 MAPT (0.70) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL1922269 0.87 CYP3A4 (0.76) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL28716584 0.87 MAPT (0.70) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL22118337 0.87 ALDH1A1 (0.70) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL29428992 0.87 MAPT (0.70) CYP3A4MAPTALDH1A1CYP1A2CYP2C9

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-11355221-B2 Classification systems, and methods of collecting, associating, storing, searching, and providing healthcare information, and connecting healthcare participants globally MANSOURI MAHDIS (US) 2022-06-07 US disclosed