SCHEMBL6830393

SCHEMBL6830393

NC(=O)C(CNC(=O)[C@@H](CNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MMP2 P08253 1/20 0.47
MITF O75030 2/20 0.46
POLB P06746 1/20 0.46
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6827975 0.85 NPC1 (0.52) MEN1KMT2ACNR1CNR2NPC1
SCHEMBL23716342 0.83 NPC1 (0.63) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL6830781 0.82 MEN1 (0.48) MEN1KMT2ACNR1CNR2NPC1
SCHEMBL6830389 0.76 NPC1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8173775 0.74 SMN1; SMN2 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3997599 0.73 TGM2 (0.50) MEN1KMT2ACNR1CNR2NPC1
SCHEMBL6830385 0.73 MMP2 (0.45) MEN1KMT2ANPC1MMP2GAA
SCHEMBL6625969 0.72 EPHX1 (0.69) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5517758 0.71 CTSK (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL29182112 0.71 NPC1 (0.67) KMT2ANPC1RAB9ASMN1; SMN2POLB

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-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed