SCHEMBL29952582

SCHEMBL29952582

O=CC1CCCN(c2ncc[nH]2)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.35
PBK Q96KB5 2/20 0.33
JAK3 P52333 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
MAP4K4 O95819 1/20 0.32
DOT1L Q8TEK3 1/20 0.32
F2RL1 P55085 1/20 0.31

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
Hydrochloric Acid SCHEMBL29956711 0.80 HIPK2 (0.37) HIPK2JAK3F2RL1
SCHEMBL3434283 0.74 PBK (0.58) PBKJAK3
SCHEMBL300491 0.73 ALOX15 (0.41) HIPK2JAK3F2RL1
Hydrochloric Acid SCHEMBL9200760 0.71 ALOX15 (0.39) HIPK2JAK3ROCK2ROCK1CDC42BPB
SCHEMBL311710 0.71 BCHE (0.42) HIPK2JAK3F2RL1
SCHEMBL4687065 0.71 CHKA (0.52)
SCHEMBL8513030 0.71 GRM1 (0.46)
SCHEMBL6403188 0.70 HIPK2 (0.36) HIPK2JAK3F2RL1
SCHEMBL556899 0.70 LMNA (0.39) HIPK2ROCK2ROCK1CDC42BPBF2RL1
Hydrochloric Acid SCHEMBL29375122 0.70 BCHE (0.41) HIPK2JAK3F2RL1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed