SCHEMBL7974402

SCHEMBL7974402

COc1ccc(CN2Cc3cc(C(=O)NCC(C)C)ccc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HPGD P15428 2/20 0.43
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 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
SCHEMBL7981151 0.89 CACNA1G (0.48) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL7984504 0.89 CACNA1G (0.50) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL7977871 0.86 HDAC6 (0.49) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL6766445 0.85 MMP13 (0.55) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL1417419 0.84 KMT2A (0.53) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL7979501 0.83 L3MBTL1 (0.53) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL1418031 0.83 DRD4 (0.55) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL7994912 0.81 ALDH1A1 (0.54) CACNA1GALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL1418406 0.81 CACNA1G (0.50) CACNA1GMEN1KMT2AHDAC6ALDH1A1
SCHEMBL31409517 0.77 ESR1 (0.48) MEN1KMT2A

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-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed