SCHEMBL6246566

SCHEMBL6246566

O=C(O)c1cnc(-c2ccc3c(c2)CCO3)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.59
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PI4K2A Q9BTU6 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43
▸ PRKAG2 Q9UGJ0 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43

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
SCHEMBL14479883 0.84 PTPN1 (0.60) PLA2G10RAB9ANPC1SMN1; SMN2POLQ
SCHEMBL23035052 0.80 HDAC1 (0.57) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1328083 0.75 PLA2G10 (0.60) PLA2G10RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL1328163 0.74 PLA2G10 (1.00) PLA2G10RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL21653091 0.74 DNM1L (0.46) PLA2G10RAB9ANPC1CLK1SMN1; SMN2
SCHEMBL15999120 0.72 PLA2G10 (0.56) PLA2G10RAB9ANPC1DYRK1APRKAB2
SCHEMBL16702935 0.71 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL18573457 0.70 PTPN1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5041568 0.70 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL24499935 0.69 PLA2G10 (0.59) PLA2G10RAB9ANPC1CLK1SMN1; 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-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 — — WO disclosed
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