SCHEMBL19357602

SCHEMBL19357602

NCCCCCNc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc3c2c1C(=O)NC3=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 3/20 0.34
▸ PRKCG P05129 3/20 0.34
▸ PRKCB P05771 3/20 0.34
▸ PRKCA P17252 3/20 0.34
▸ PRKCH P24723 3/20 0.34
▸ PRKCI P41743 3/20 0.34
▸ PRKCE Q02156 3/20 0.34
▸ PRKCQ Q04759 3/20 0.34
▸ PRKCZ Q05513 3/20 0.34
▸ PRKCD Q05655 3/20 0.34
▸ PRKD1 Q15139 3/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ PRKACG P22612 1/20 0.34
▸ PRKACB P22694 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 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
SCHEMBL2380693 0.76 NT5E (0.40) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL301992 0.76 MEN1 (0.30) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL2405485 0.71 MEN1 (0.49) MEN1KMT2APKMSMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL9152245 0.67 — —
SCHEMBL170998 0.62 ALDH1A1 (0.39) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL15528926 0.61 MEN1 (0.68) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL27426620 0.61 CASP6 (0.38) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL28120681 0.60 MEN1 (0.39) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL17145936 0.60 GSK3B (0.45) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3982795 0.59 ALDH1A1 (0.49) PRKD3PRKCGPRKCBPRKCAPRKCH

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
EP-3430015-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR Oryzon Genomics, S.A. (ES) 2019-01-23 — — EP disclosed
WO-2017158136-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR ORYZON GENOMICS, S.A. (ES) 2017-09-21 — — WO disclosed
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