SCHEMBL31184661

SCHEMBL31184661

COC(=O)C1CCC(N2Cc3c(C)cc(Br)cc3NC2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ PKM P14618 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
SCHEMBL31184698 0.82 CHRM4 (0.36) ALDH1A1SMN1; SMN2BTKJAK2KDM4E
SCHEMBL31184365 0.81 POLB (0.42) ALDH1A1HTTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL31184574 0.79 ACE (0.37) ALDH1A1HTTSMN1; SMN2BTKSLC6A2
SCHEMBL31184729 0.78 POLB (0.39) ALDH1A1HTTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL31184505 0.78 POLB (0.39) ALDH1A1HTTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL31184692 0.74 JAK2 (0.39) SMN1; SMN2JAK2KDM1AKDM4E
SCHEMBL31184494 0.70 KDM1A (0.39) ALDH1A1BTKCYP3A4CYP2C9CYP2C19
SCHEMBL31184907 0.68 JAK2 (0.40) JAK2
SCHEMBL31184632 0.68 MAPK1 (0.46) ALDH1A1BTK
SCHEMBL31184880 0.67 MAPK1 (0.45) ALDH1A1HTTSMN1; SMN2BTKSLC6A4

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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