SCHEMBL8701184

SCHEMBL8701184

C[C@@H](N)C(=O)NCCNc1ccc(NCCN)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ TOP2B Q02880 1/20 0.51
▸ NPC1 O15118 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ ECE1 P42892 1/20 0.46
▸ MUS81 Q96NY9 1/20 0.46
▸ TERT O14746 7/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL8701169 1.00 MEN1 (0.52) MEN1KMT2APOLBBLMNSD2
SCHEMBL8602144 0.90 NSD2 (0.50) MEN1KMT2APOLBBLMNSD2
SCHEMBL8602157 0.90 NSD2 (0.50) MEN1KMT2APOLBBLMNSD2
SCHEMBL8628866 0.83 MEN1 (0.51) MEN1KMT2APOLBBLMNSD2
SCHEMBL8628860 0.83 MEN1 (0.51) MEN1KMT2APOLBBLMNSD2
SCHEMBL8600843 0.83 MEN1 (0.56) MEN1KMT2APOLBBLMNSD2
SCHEMBL29886736 0.82 MEN1 (0.63) MEN1KMT2APOLBBLMNSD2
SCHEMBL4198607 0.82 MEN1 (0.63) MEN1KMT2APOLBBLMNSD2
SCHEMBL10630937 0.81 MEN1 (0.55) MEN1KMT2APOLBBLMNSD2
SCHEMBL11883445 0.79 MAOA (0.58) MEN1KMT2APOLBBLMNSD2

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
US-5733880-A ANTITUMOR AGENTS NAPIER UNIVERSITY VENTURES LIMITED (GB) 1998-03-31 — — US disclosed
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