SCHEMBL2652543

SCHEMBL2652543

O=C(Nc1ccccn1)[C@H](SCc1ccco1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ KMT2A Q03164 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ FFAR2 O15552 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL1565887 1.00 S1PR1 (0.46) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL1565008 0.83 MAPT (0.44) KMT2AMEN1ALDH1A1FFAR2TSHR
SCHEMBL1566264 0.80 FFAR2 (0.52) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL1565411 0.79 HPGD (0.41) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL1566440 0.76 FFAR2 (0.55) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL9071875 0.75 S1PR1 (0.60) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL9071942 0.73 S1PR1 (0.49) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL1566890 0.72 S1PR1 (0.48) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL2646822 0.68 KCNH2 (0.59) S1PR1S1PR3KMT2ANPC1RAB9A
SCHEMBL2645314 0.68 KCNH2 (0.59) S1PR1S1PR3KMT2ANPC1RAB9A

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-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 — — EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 — — WO disclosed
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