SCHEMBL14816846

SCHEMBL14816846

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)C[C@H](O)CO)c2cc1NCCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ USP2 O75604 4/20 0.50
▸ HAT1 O14929 4/20 0.50
▸ RBBP7 Q16576 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ RECQL P46063 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ BRCA1 P38398 2/20 0.50
▸ CASP7 P55210 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TST Q16762 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 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
SCHEMBL866388 0.89 MEN1 (0.66) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL24201806 0.81 MEN1 (0.74) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL19424100 0.81 MEN1 (0.74) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL20155598 0.81 MEN1 (0.74) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL13496315 0.77 KMT2A (0.55) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL10250554 0.75 KMT2A (0.46) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL12287362 0.75 MEN1 (0.49) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL12959382 0.74 MEN1 (0.57) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL864848 0.73 KMT2A (0.68) MEN1KMT2AUSP2HAT1RBBP7
SCHEMBL865140 0.73 MEN1 (0.76) MEN1KMT2AUSP2HAT1RBBP7

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
WO-2013040412-A2 METHODS FOR INHIBITING BACTERIA GROWTH BIORELIX, INC. (US) 2013-03-21 — — WO disclosed
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