SCHEMBL29429035

SCHEMBL29429035

Nc1ccc(F)cc1C#Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.60
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
APP P05067 1/20 0.44
CA12 O43570 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CASP3 P42574 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
SCHEMBL28967099 0.86 ALDH1A1 (0.54) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL8187274 0.85 MAPT (0.60) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL28091293 0.85 CYP1A2 (0.53) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL23291737 0.82 GRM5 (0.43) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL28707774 0.78 CYP3A4 (0.60) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL29001487 0.78 APP (0.44) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL31693943 0.78 MAPT (0.60) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL29428994 0.77 MAPT (0.70) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL17469612 0.77 MAPT (0.70) MAPTALDH1A1NPC1KDM4EMEN1
SCHEMBL29532077 0.76 CYP3A4 (1.00) MAPTALDH1A1NPC1KDM4EMEN1

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-B N-naphthyl indole derivative and synthesis method thereof 湖南第一师范学院 2023-07-21 CN disclosed
CN-114057623-A N-naphthyl indole derivative and synthetic method thereof 湖南第一师范学院 2022-02-18 CN disclosed