SCHEMBL27590340

SCHEMBL27590340

O=[C]C=Cc1ccc(F)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.56
▸ MAOB P27338 5/20 0.46
▸ MAOA P21397 4/20 0.46
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NFE2L2 Q16236 3/20 0.35
▸ MTOR P42345 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ AKR1C2 P52895 1/20 0.32
▸ DPEP1 P16444 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ APP P05067 4/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL2322998 0.85 VCP (0.40) VCPMAOBMAOANFE2L2AKR1C3
SCHEMBL2322995 0.85 VCP (0.40) VCPMAOBMAOANFE2L2AKR1C3
SCHEMBL11045499 0.82 NFE2L2 (0.52) VCPRAB9ANFE2L2TRPA1
SCHEMBL11045502 0.82 NFE2L2 (0.52) VCPRAB9ANFE2L2TRPA1
SCHEMBL9105595 0.81 VCP (0.51) VCPMAOBMAOANPC1RAB9A
SCHEMBL9105604 0.81 VCP (0.51) VCPMAOBMAOANPC1RAB9A
SCHEMBL2360503 0.78 TRPA1 (0.38) VCPMAOBMAOANFE2L2TRPA1
SCHEMBL2360504 0.78 TRPA1 (0.38) VCPMAOBMAOANFE2L2TRPA1
SCHEMBL38650704 0.76 VCP (0.58) VCPMAOBMAOANPC1RAB9A
SCHEMBL21676111 0.76 VCP (0.57) VCPMAOBMAOANPC1RAB9A

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-1525957-A Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis ������ҩ�����޹�˾ 2004-09-01 — — CN disclosed
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