SCHEMBL1720083

SCHEMBL1720083

CCCCN(N)c1nc(NN=Cc2c[nH]c3ccccc23)cc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.55
▸ GAA P10253 8/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ LMNA P02545 6/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ PIKFYVE Q9Y2I7 1/20 0.48
▸ THRB P10828 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ DCTPP1 Q9H773 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ POLB P06746 4/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ APAF1 O14727 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ SENP7 Q9BQF6 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
SCHEMBL1720081 1.00 MAPT (0.55) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10198704 0.84 L3MBTL1 (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL426317 0.84 L3MBTL1 (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL13758963 0.84 MAPT (0.53) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL426316 0.84 L3MBTL1 (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL14530462 0.83 MAPT (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL427380 0.83 MAPT (0.53) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL427379 0.83 MAPT (0.53) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10073895 0.83 MAPT (0.53) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL20024421 0.83 MAPT (0.51) MAPTGAAALDH1A1MEN1KMT2A

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-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 — — EP claimed
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