SCHEMBL30219113

SCHEMBL30219113

Cc1ccc(Br)c2ccn(C)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ INMT O95050 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
SCHEMBL16382719 0.82 KDM4E (0.38) KDM4EAPOBEC3AAPOBEC3GMAPTALDH1A1
SCHEMBL14981577 0.78 F2RL1 (0.35) —
SCHEMBL18876106 0.75 F2RL1 (0.42) KDM4EAPOBEC3AAPOBEC3GMAPT
SCHEMBL18736629 0.75 KDM4E (0.33) KDM4EAPOBEC3AAPOBEC3GMAPT
SCHEMBL18876196 0.75 HSD11B1 (0.34) KDM4EAPOBEC3AAPOBEC3GMAPTALDH1A1
SCHEMBL24981834 0.75 NQO2 (0.35) KDM4EMAPTALDH1A1
SCHEMBL2381219 0.75 F2RL1 (0.34) —
SCHEMBL31500714 0.73 HKDC1 (0.32) KDM4EMAPTALDH1A1
SCHEMBL20563046 0.73 ALDH1A1 (0.36) KDM4EMAPTALDH1A1
SCHEMBL31271785 0.73 IMPDH2 (0.36) MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4395776-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM Insusense ApS (DK) 2024-07-10 — — EP disclosed
CN-118019533-A 2-Amino-5, 5-dimethylhexanoic acid derivatives as sortilin modulators for the treatment of central nervous system diseases 因苏森斯有限公司 2024-05-10 — — CN disclosed
WO-2023031440-A1 2-AMINO-5,5-DIMETHYLHEXANOIC ACID DERIVATIVES AS SORTILIN MODULATORS FOR USE IN THE TREATMENT OF DISEASE OF THE CENTRAL NERVOUS SYSTEM INSUSENSE ApS (DK) 2023-03-09 — — WO disclosed
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