SCHEMBL26123715

SCHEMBL26123715

CCN(CCN(C)C(=O)O)c1ccc(C#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.41
GBA1 P04062 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CYP2D6 P10635 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MMP2 P08253 1/20 0.35
AOC3 Q16853 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NSD2 O96028 1/20 0.34
FNTA P49354 1/20 0.34

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
SCHEMBL30546398 0.83 HCAR3 (0.34) HCAR3GBA1USP30MMP2AOC3
SCHEMBL14484887 0.81 GFER (0.47) HCAR3GBA1USP30AOC3KDM4E
SCHEMBL23073628 0.81 HCAR3 (0.45) HCAR3GBA1AOC3KDM4EALDH1A1
SCHEMBL8750801 0.80 GBA1 (0.55) HCAR3GBA1USP30AOC3KDM4E
SCHEMBL23073650 0.79 GBA1 (0.41) HCAR3GBA1USP30AOC3KDM4E
SCHEMBL14484955 0.78 GBA1 (0.42) HCAR3GBA1USP30AOC3KDM4E
SCHEMBL26124987 0.76 GBA1 (0.41) HCAR3GBA1USP30AOC3KDM4E
SCHEMBL26127470 0.76 HCAR3 (0.35) HCAR3GBA1USP30MMP2AOC3
SCHEMBL26127469 0.76 MMP2 (0.37) HCAR3GBA1USP30MMP2AOC3
SCHEMBL26296938 0.74 HCAR3 (0.51) HCAR3GBA1AOC3KDM4EALDH1A1

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-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed