SCHEMBL2368192

SCHEMBL2368192

Cc1c(C(=O)Nc2ccc(CCO)cc2)nnn1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.54
TP53 P04637 2/20 0.51
KLKB1 P03952 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL2367184 0.91 MAPT (0.58) MAPTALDH1A1TP53KLKB1MEN1
SCHEMBL23657759 0.89 ALDH1A1 (0.65) MAPTALDH1A1TP53KLKB1MEN1
SCHEMBL2368467 0.87 PTGDR2 (0.48) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL2368196 0.83 MAPT (0.55) MAPTALDH1A1TP53KLKB1MEN1
SCHEMBL1924118 0.83 MAPT (0.57) MAPTALDH1A1TP53KLKB1MEN1
SCHEMBL2368145 0.82 TP53 (0.57) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL2367704 0.82 MAPT (0.60) MAPTALDH1A1TP53KLKB1MEN1
SCHEMBL2367685 0.82 MAPT (0.59) MAPTALDH1A1KLKB1MEN1KMT2A
SCHEMBL2367728 0.81 KDM4E (0.50) MAPTALDH1A1TP53MEN1KMT2A
SCHEMBL31414372 0.81 KDM4E (0.50) MAPTALDH1A1TP53MEN1KMT2A

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-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 EP disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 EP disclosed