SCHEMBL29544920

SCHEMBL29544920

CC(=O)c1cn(CC(=O)O)c2ccc(-c3cnc(C)c(Cl)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 7/20 0.45
▸ GRIN2B Q13224 7/20 0.41
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL18578356 1.00 CFD (0.45) CFDGRIN2BLMNASMN1; SMN2RXFP1
SCHEMBL29841251 0.87 CFD (0.42) CFDGRIN2BLMNASMN1; SMN2RXFP1
SCHEMBL18578623 0.87 CFD (0.42) CFDGRIN2BLMNASMN1; SMN2RXFP1
SCHEMBL29545967 0.85 CFD (0.47) CFDGRIN2BLMNASMN1; SMN2RXFP1
SCHEMBL18555261 0.85 CFD (0.47) CFDGRIN2BLMNASMN1; SMN2RXFP1
SCHEMBL17024799 0.81 CFD (0.41) CFDLMNASMN1; SMN2CREBBPKMT2A
SCHEMBL29545109 0.81 CFD (0.41) CFDLMNASMN1; SMN2CREBBPKMT2A
SCHEMBL17037526 0.80 CFD (0.43) CFDLMNASMN1; SMN2P2RY12CREBBP
SCHEMBL18555130 0.78 CFD (0.60) CFDGRIN2BLMNASMN1; SMN2P2RY12
SCHEMBL17024881 0.78 CFD (0.59) CFD

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-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 — — CN disclosed
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