SCHEMBL30995142

SCHEMBL30995142

CCOC(=O)c1cc2c(C)cc(Br)cc2n1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
F10 P00742 1/20 0.38
ELANE P08246 3/20 0.37
GRK6 P43250 1/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL30995245 0.88 LMNA (0.37) ALDH1A1SMN1; SMN2LMNAELANEGRK6
SCHEMBL30995182 0.85 WDR5 (0.42) ALDH1A1SMN1; SMN2LMNAELANEKDM4E
SCHEMBL30995240 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAELANEKDM4E
SCHEMBL30995181 0.85 WDR5 (0.42) ALDH1A1SMN1; SMN2LMNAELANEKDM4E
SCHEMBL30995218 0.83 ALDH1A1 (0.40) ALDH1A1LMNAELANEKDM4EL3MBTL1
SCHEMBL30995195 0.82 NOTUM (0.42) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL30995116 0.79 NOD2 (0.42) ALDH1A1SMN1; SMN2LMNAELANEKDM4E
SCHEMBL20822415 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2LMNAELANEGRK6
SCHEMBL30076067 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2LMNAELANEGRK6
SCHEMBL7478527 0.76 GRK6 (0.41) ALDH1A1SMN1; SMN2LMNAGRK6KDM4E

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-118530160-A Aromatic heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-08-23 CN disclosed