SCHEMBL901679

SCHEMBL901679

Nc1cccc(-c2cccc(C3=CCN(C(=O)O)CC3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 7/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ASIC3 Q9UHC3 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ QDPR P09417 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NOS3 P29474 1/20 0.39

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
SCHEMBL29668566 0.87 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL901325 0.84 GRM1 (0.50) —
SCHEMBL3993976 0.81 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5959136 0.81 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2241959 0.77 ALDH1A1 (0.67) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4864624 0.77 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16113804 0.77 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL901312 0.76 KARS1 (0.54) ALDH1A1SMN1; SMN2
SCHEMBL1704842 0.76 KARS1 (0.52) ALDH1A1SMN1; SMN2NPC1ALOX15RAB9A
SCHEMBL29924615 0.76 QDPR (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed
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