SCHEMBL25798444

SCHEMBL25798444

Cc1ccc2c(C3CCCC3)c(Br)oc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PSMB8 P28062 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32

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
SCHEMBL1260698 0.78 DRD3 (0.35) MAOBPSMB8PSMB5
SCHEMBL12921149 0.69 NPC1 (0.37) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL803700 0.68 NPC1 (0.48) RAB9ANPC1KMT2AALDH1A1
SCHEMBL13006921 0.68 CNR1 (0.33) RAB9ANPC1
SCHEMBL9927267 0.67 MAOB (0.53) NPC1SMN1; SMN2MAOBKMT2AMEN1
SCHEMBL12440983 0.65 MAOB (0.44) SMN1; SMN2MAOBHPGDALDH1A1GAA
SCHEMBL25762789 0.65 ACHE (0.44) RAB9ANPC1ALDH1A1GABRPGABRD
SCHEMBL11544822 0.65 MAOB (0.42) RAB9ANPC1SMN1; SMN2MAOBKMT2A
SCHEMBL3409002 0.64 PTGDR2 (0.45) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL22899160 0.64 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAOBKMT2A

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-2023132489-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-13 — — WO disclosed
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