SCHEMBL11808339

SCHEMBL11808339

O=C(O)c1ccc(-c2nnc(-c3ccc(C(=O)O)c(-c4ccccc4)c3)s2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ HSD17B1 P14061 1/20 0.46
▸ DDX3X O00571 3/20 0.45
▸ HNF4A P41235 3/20 0.45
▸ ACMSD Q8TDX5 2/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SNCA P37840 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EIF4E P06730 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CSNK2A2 P19784 2/20 0.41
▸ CSNK2A1 P68400 2/20 0.41
▸ DHFR P00374 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10334618 0.82 ACMSD (0.62) PTPN1HNF4AACMSDKMT2AALDH1A1
SCHEMBL2462821 0.81 ACMSD (0.66) PTPN1HNF4AACMSDNPC1RAB9A
SCHEMBL11611572 0.80 NPC1 (0.56) DDX3XHNF4ANPC1RAB9ASMN1; SMN2
SCHEMBL11809878 0.79 NPC1 (0.60) PTPN1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11809704 0.77 NPC1 (0.58) PTPN1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11516937 0.77 RXRB (0.51) HSD17B1DDX3XSNCACSNK2A2CSNK2A1
SCHEMBL460360 0.75 ACMSD (0.58) PTPN1HNF4AACMSDNPC1RAB9A
Methyl Alcohol SCHEMBL9860421 0.75 HNF4A (0.53) PTPN1HNF4AACMSDNPC1RAB9A
SCHEMBL31517118 0.74 HNF4A (0.61) PTPN1HNF4AACMSDNPC1RAB9A
SCHEMBL1479704 0.74 HNF4A (0.61) PTPN1HNF4AACMSDNPC1RAB9A

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-3939115-A OXADIAZOLES EASTMAN KODAK COMPANY (US) 1976-02-17 — — US disclosed
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