SCHEMBL31435342

SCHEMBL31435342

COC(=O)c1ccc(C2CC2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RBP4 P02753 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ATM Q13315 2/20 0.41

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
SCHEMBL12488933 0.94 CHRNB2 (0.42) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL1918813 0.93 ALDH1A1 (0.46) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL31435281 0.91 CA12 (0.44) CHRNB2CHRNA4CA12CA1CA2
SCHEMBL30863462 0.89 RBP4 (0.44) CHRNB2CHRNA4ALDH1A1KDM4EKMT2A
SCHEMBL27195848 0.89 RBP4 (0.44) CHRNB2CHRNA4ALDH1A1KDM4EKMT2A
SCHEMBL6987984 0.84 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL10322131 0.81 HSD17B10 (0.38) CA12CA1CA2CA7CA9
SCHEMBL12488889 0.81 GAA (0.49) ALDH1A1KDM4ESLC6A3KMT2AMAPT
SCHEMBL8148281 0.80 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL16958218 0.79 SLC22A12 (0.37) CHRNB2CHRNA4ALDH1A1HPGDEZH2

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
WO-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed