SCHEMBL30775698

SCHEMBL30775698

O=C(O)N1CCC(Nc2cccc(Br)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GRK2 P25098 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FAAH O00519 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
PTPN1 P18031 2/20 0.43
EGFR P00533 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL29136105 0.84 KMT2A (0.50) TP53GRK2CASP6CASP8CTDSP1
SCHEMBL27177207 0.84 KMT2A (0.50) TP53GRK2CASP6CASP8CTDSP1
SCHEMBL3801054 0.83 SPR (0.50) TP53MAPTKDM4EALDH1A1
SCHEMBL4131412 0.83 KDM4E (0.60) LMNAKDM4EALDH1A1KMT2A
SCHEMBL5969516 0.83 EPHX2 (0.54) LMNAKDM4ECTDSP1TDP1L3MBTL1
SCHEMBL28206562 0.82 CCR5 (0.49) MAPTTHRBL3MBTL1ALDH1A1KMT2A
SCHEMBL27167162 0.81 ALDH1A1 (0.62) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL30056476 0.81 ALDH1A1 (0.62) LMNAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL28774927 0.80 MLNR (0.55) LMNATP53MAPTKDM4EALDH1A1
SCHEMBL27712618 0.80 EPHX2 (0.59) LMNAUBE2MDCUN1D1KMT2A

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-117355522-A PKC-theta modulators 爱智药人工智能有限公司 2024-01-05 CN disclosed