SCHEMBL27433446

SCHEMBL27433446

COC(=O)c1ccc(OCCCCOc2ccc(CBr)c(C(=O)OC)c2)cc1CBr

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.43
▸ MAOA P21397 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30966089 1.00 MAOB (0.43) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL27433526 0.97 MAPT (0.42) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL27433301 0.96 MAPT (0.46) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL30966104 0.96 MAPT (0.46) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL27141409 0.86 PLA2G2A (0.46) MAOBMAOAMAPTALDH1A1LMNA
SCHEMBL14441468 0.83 KDM4E (0.48) RAB9AALDH1A1LMNAKDM4ECYP1A2
SCHEMBL27433963 0.81 MAPT (0.40) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL30966103 0.81 MAPT (0.40) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL149036 0.81 KDM4E (0.55) MAPTRAB9AALDH1A1LMNAKDM4E
SCHEMBL896633 0.81 KDM4E (0.51) RAB9AALDH1A1LMNAKDM4ECYP1A2

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-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 — — WO disclosed
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