SCHEMBL29428987

SCHEMBL29428987

Nc1ccccc1C#Cc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.95
CYP1A2 P05177 4/20 0.95
CYP3A4 P08684 4/20 0.95
CYP2C9 P11712 4/20 0.95
CYP2C19 P33261 4/20 0.95
ALDH1A1 P00352 3/20 0.95
NPC1 O15118 2/20 0.95
KDM4E B2RXH2 2/20 0.95
MEN1 O00255 2/20 0.95
HPGD P15428 2/20 0.95
KMT2A Q03164 2/20 0.95
HSD17B10 Q99714 2/20 0.95
SMN1; SMN2 Q16637 1/20 0.95
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
APP P05067 2/20 0.55
GFER P55789 1/20 0.54
CA12 O43570 3/20 0.50

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
SCHEMBL929235 0.98 CYP3A4 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29532077 0.98 CYP3A4 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29616405 0.93 CYP3A4 (0.83) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29428992 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29428994 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29087860 0.85 ALDH1A1 (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29385614 0.85 ALDH1A1 (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28716584 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22118337 0.85 ALDH1A1 (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28686564 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057623-A N-naphthyl indole derivative and synthetic method thereof 湖南第一师范学院 2022-02-18 CN claimed
CN-114057623-A N-naphthyl indole derivative and synthetic method thereof 湖南第一师范学院 2022-02-18 CN disclosed