SCHEMBL8626591

SCHEMBL8626591

N#CCc1ncc2ccccc2[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
TNF P01375 1/20 0.30

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
SCHEMBL6081734 0.78 ATM (0.44) ATMNPC1RAB9A
SCHEMBL4288878 0.78 ATM (0.44) ATMNPC1RAB9A
SCHEMBL400031 0.74 ATM (0.40) ATMNPC1RAB9AKDM4E
SCHEMBL12478396 0.73 ATM (0.39) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL9769252 0.69 ATM (0.45) ATMNPC1RAB9AKDM4ECYP1A2
SCHEMBL4559941 0.68 ATM (0.48) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL3535166 0.68 ATM (0.48) ATMMEN1MAPTKMT2ANPC1
SCHEMBL4620642 0.68 ATM (0.48) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL5259264 0.68 ATM (0.48) ATMMEN1KMT2ANPC1RAB9A
SCHEMBL8424490 0.68 ATM (0.48) ATMMEN1KMT2ANPC1RAB9A

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
US-5716446-A PRINTING INK; TONERS; POWDER COATING HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
US-5698705-A BASED ON AMINOBENZIMIDAZOLONES HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed