SCHEMBL31005271

SCHEMBL31005271

Cc1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ MMP2 P08253 6/20 0.51
▸ MMP9 P14780 6/20 0.51
▸ MMP8 P22894 6/20 0.51
▸ MMP13 P45452 6/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ HPSE Q9Y251 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ NPBWR1 P48145 2/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46

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
SCHEMBL22244598 1.00 NPC1 (0.53) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL14494924 0.92 NPC1 (0.60) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL7574964 0.90 NPC1 (0.58) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL17393413 0.87 NR1H4 (0.49) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL20982568 0.86 MMP2 (0.57) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL6124301 0.85 NPC1 (0.71) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL24347821 0.84 NPC1 (0.53) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL3337292 0.84 GUSB (0.57) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL7388566 0.84 GUSB (0.57) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL2245390 0.84 ALDH1A1 (0.61) NPC1RAB9AMMP2MMP9MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652995-A1 ANTIBACTERIAL COMPOSITION, PHARMACEUTICAL AGENT, AND ANTIBACTERIAL METHOD Japan Science and Technology Agency (JP) 2025-11-26 — — EP disclosed
WO-2024154719-A1 ANTIBACTERIAL COMPOSITION, PHARMACEUTICAL AGENT, AND ANTIBACTERIAL METHOD 国立研究開発法人科学技術振興機構 2024-07-25 — — WO disclosed
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