SCHEMBL10577412

SCHEMBL10577412

Cc1ccc(-c2nc3ccc(C(C)(C)CN)cc3[nH]2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.41
▸ F10 P00742 4/20 0.41
▸ PLG P00747 4/20 0.41
▸ PLAU P00749 4/20 0.41
▸ PRSS1 P07477 4/20 0.41
▸ PLAT P00750 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SCN10A Q9Y5Y9 3/20 0.40
▸ NPBWR1 P48145 2/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ SCD O00767 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38

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
SCHEMBL10577409 0.91 AMY1A (0.36) F2F10PLGPLAUPRSS1
SCHEMBL10578009 0.83 THRB (0.36) F2F10PLGPLAUPRSS1
SCHEMBL10579334 0.78 DGAT1 (0.64) ALDH1A1SMN1; SMN2NPBWR1KCNH2DGAT1
SCHEMBL10577479 0.77 NPBWR1 (0.67) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10573938 0.76 MAPT (0.59) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL10576089 0.75 NPBWR1 (0.64) PLAUPRSS1KDM4EALDH1A1GAA
SCHEMBL10580044 0.75 AMY1A (0.41) F2F10PLGPLAUPRSS1
SCHEMBL10575692 0.74 NPBWR1 (0.49) KDM4EALDH1A1NPC1NPBWR1KCNH2
SCHEMBL10573947 0.74 NPC1 (0.58) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL10575984 0.74 SCN10A (0.38) KDM4EALDH1A1GAAMAPTNPC1

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
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 — — EP disclosed
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