SCHEMBL17883341

SCHEMBL17883341

O=C(Nc1ccccc1)c1cc2occc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.62
▸ RAB9A P51151 4/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ POLB P06746 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ EGFR P00533 5/20 0.49
▸ PIK3CA P42336 5/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ PTPN11 Q06124 1/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ IDO1 P14902 1/20 0.45

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
SCHEMBL12904066 0.80 DAO (0.67) DAORAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2406834 0.78 DAO (0.65) DAOPOLBPTPN11GAA
SCHEMBL679809 0.77 DAO (1.00) DAOSMN1; SMN2LMNAPOLBGAA
SCHEMBL12904065 0.77 DAO (0.62) DAOPOLBGAA
SCHEMBL1171650 0.76 DAO (0.96) DAOSMN1; SMN2LMNAPOLBGAA
SCHEMBL7208136 0.75 NPC1 (1.00) DAORAB9ANPC1SMN1; SMN2LMNA
SCHEMBL29475123 0.75 NPC1 (1.00) DAORAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12880134 0.75 DAO (0.59) DAORAB9ANPC1POLBGAA
Hydrochloric Acid SCHEMBL16465542 0.74 NPC1 (0.97) DAORAB9ANPC1SMN1; SMN2LMNA
SCHEMBL12864171 0.73 DAO (0.62) DAOPOLBNSD2GAA

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
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US claimed
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