SCHEMBL14291472

SCHEMBL14291472

C=C(CSc1nc2[nH]nc(C)c2c(=N)n1-c1ccc(OC)cc1)Nc1cccc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.57
▸ ALDH1A1 P00352 9/20 0.57
▸ TP53 P04637 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ USP2 O75604 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ KLK7 P49862 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 5/20 0.45
▸ THRB P10828 2/20 0.45
▸ MAPK1 P28482 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14426817 0.90 MAPT (0.70) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426815 0.86 MAPT (0.69) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426800 0.85 MAPT (0.77) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426827 0.84 MAPT (0.62) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426814 0.82 MAPT (0.73) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426821 0.81 MAPT (0.69) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426803 0.79 MAPT (0.64) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14291661 0.79 MAPT (0.50) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426823 0.79 MAPT (0.61) MAPTALDH1A1TP53KDM4EUSP2
SCHEMBL14426816 0.78 USP2 (0.58) MAPTALDH1A1TP53KDM4EUSP2

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-2008024759-A2 IMMUNOMODULATORY COMPOUNDS THAT TARGET AND INHIBIT THE PY+3 BINDING SITE OF TYROSENE KINASE P56 LCK SH2 DOMAIN UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-02-28 — — WO disclosed
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