SCHEMBL9259477

SCHEMBL9259477

O=[N+]([O-])c1cccc(-c2cc(O)cc3[nH]c(-c4ccccc4)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ NPBWR1 P48145 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ F7 P08709 2/20 0.51
▸ GUSB P08236 2/20 0.50
▸ MMP13 P45452 3/20 0.49
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP8 P22894 2/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ PELI1 Q96FA3 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
SCHEMBL8816568 0.81 MAPT (0.61) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL8818550 0.79 MGAM (0.51) MAPTPARP1GAA
SCHEMBL2308775 0.73 NPBWR1 (0.79) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL31474756 0.72 MMP13 (0.68) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL28761269 0.72 RAB9A (0.80) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL3336091 0.72 RAB9A (0.80) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL2126513 0.71 MAPT (0.74) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL8817544 0.71 MGAM (0.50) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL31679090 0.71 NPBWR1 (1.00) MAPTRAB9ANPC1NPBWR1SMN1; SMN2
SCHEMBL2245102 0.71 NPBWR1 (1.00) MAPTRAB9ANPC1NPBWR1SMN1; SMN2

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-1995007263-A1 1,2-DI(HETERO)ARYLBENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROSTACYCLIN (PGI2) MIMETICS SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-16 — — WO disclosed
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