SCHEMBL12469032

SCHEMBL12469032

O=C(NCc1cccnc1)c1ccccc1-c1ncco1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.67
▸ HTT P42858 3/20 0.67
▸ USP2 O75604 1/20 0.64
▸ ALDH1A1 P00352 6/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ MEN1 O00255 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ LMNA P02545 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MMP13 P45452 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2711034 0.84 HTT (0.50) KMT2AHTTUSP2ALDH1A1MAPK1
SCHEMBL12469175 0.80 ALDH1A1 (0.59) KMT2AHTTUSP2ALDH1A1MAPK1
SCHEMBL8432202 0.79 USP2 (1.00) KMT2AHTTUSP2ALDH1A1MAPK1
SCHEMBL12469027 0.77 SMN1; SMN2 (0.57) KMT2AHTTUSP2ALDH1A1MAPK1
SCHEMBL5572106 0.77 GAA (0.44) KMT2AHTTALDH1A1LMNAKDM4E
SCHEMBL1399530 0.75 USP2 (0.72) KMT2AHTTUSP2ALDH1A1MEN1
SCHEMBL29392319 0.75 USP2 (0.77) KMT2AHTTUSP2ALDH1A1MEN1
SCHEMBL13161966 0.75 USP2 (0.72) KMT2AHTTUSP2ALDH1A1MAPK1
SCHEMBL11625657 0.75 USP2 (0.72) KMT2AHTTUSP2ALDH1A1MAPK1
SCHEMBL7535584 0.75 USP2 (0.68) KMT2AHTTUSP2ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838534-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2015-02-25 — — EP claimed
WO-2013155338-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-10-17 — — WO claimed
EP-2627324-A2 SUBSTITUTED BENZAMIDES AND THEIR USES The Board of Trustees of The Leland Stanford Junior University (US) 2013-08-21 — — EP disclosed
WO-2012051117-A2 SUBSTITUTED BENZAMIDES AND THEIR USES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-04-19 — — WO disclosed
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