SCHEMBL18708432

SCHEMBL18708432

Cc1ccc(C2=CCN=N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NISCH Q9Y2I1 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NOTUM Q6P988 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL15161493 0.67 TDP1 (0.42) TDP1ACHENISCHKDM4ENPC1
SCHEMBL14551129 0.65 TDP1 (0.35) TDP1ACHENISCHKDM4ENPC1
SCHEMBL11185800 0.64 ACHE (0.44) TDP1ACHENISCHKDM4ENPC1
SCHEMBL18661495 0.63 ACHE (0.73) TDP1ACHEHPGDALDH1A1HSD17B10
SCHEMBL197731 0.63 ACHE (0.73) TDP1ACHEHPGDALDH1A1HSD17B10
SCHEMBL3287696 0.63 ACHE (0.73) TDP1ACHEHPGDALDH1A1HSD17B10
SCHEMBL19100322 0.62 TDP1 (0.36) TDP1ACHENISCHKDM4ENPC1
SCHEMBL22049777 0.61 NISCH (0.35) NISCHKDM4ERAB9AHPGDALDH1A1
SCHEMBL25304741 0.61 HPGD (0.38) TDP1ACHEKDM4ENPC1RAB9A
Water SCHEMBL3763584 0.60 ACHE (0.67) TDP1ACHEHPGDALDH1A1HSD17B10

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-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 — — US disclosed
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