SCHEMBL17544618

SCHEMBL17544618

CCc1nnc(CNCc2cc(C(=O)O)cc(CO[Si](C)(C)C(C)(C)C)n2)n1CCCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.36
▸ EHMT1 Q9H9B1 1/20 0.36
▸ HDAC1 Q13547 5/20 0.36
▸ HDAC8 Q9BY41 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ CACNA2D1 P54289 1/20 0.34
▸ TSSK1B Q9BXA7 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GHSR Q92847 1/20 0.31

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
SCHEMBL17549909 0.93 EHMT2 (0.41) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17544863 0.86 HDAC1 (0.34) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17545015 0.86 EHMT2 (0.40) EHMT2CACNA2D1PLA2G2A
SCHEMBL17544811 0.86 EHMT2 (0.41) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17670429 0.84 EHMT2 (0.41) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17544728 0.80 EHMT2 (0.44) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17545158 0.78 EHMT2 (0.40) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17544550 0.76 PDE6D (0.38) SMN1; SMN2RAB9ANPSR1
SCHEMBL17670405 0.75 EHMT2 (0.39) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17670431 0.73 USP2 (0.39) EHMT2EHMT1SMN1; SMN2NPC1RAB9A

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-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
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