SCHEMBL28669003

SCHEMBL28669003

Clc1nc(Cl)c2c(n1)CCC(N1CCOCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.34
▸ CDK2 P24941 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ROCK2 O75116 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
SCHEMBL23999684 0.69 ALDH1A1 (0.39) CDK2FLT3CCNA1IRAK4ROCK2
SCHEMBL2713361 0.69 LMNA (0.45) SMN1; SMN2ROCK2
SCHEMBL2713357 0.69 LMNA (0.45) SMN1; SMN2ROCK2
SCHEMBL16168690 0.69 DPP4 (0.40) SMN1; SMN2ROCK2
SCHEMBL30680099 0.68 ALDH1A1 (0.42) HRH3SMN1; SMN2
SCHEMBL24373917 0.68 ALDH1A1 (0.42) HRH3SMN1; SMN2
SCHEMBL31332215 0.68 CHKA (0.32) —
SCHEMBL2708036 0.68 WNT3A (0.41) —
Bromide SCHEMBL309082 0.68 LMNA (0.44) ROCK2
Bromide SCHEMBL2711090 0.68 LMNA (0.44) ROCK2

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
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 — — CN disclosed
Send feedback