SCHEMBL20184770

SCHEMBL20184770

c1cc(-c2nc3ccc(-c4nc5ccc(C6=NCCN6)cc5[nH]4)cc3[nH]2)ccc1C1=NCCN1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RECQL P46063 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
GLA P06280 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
MAPK1 P28482 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL20982698 0.97 PRMT1 (0.56) PRMT1MEN1KMT2ARECQLKDM4E
SCHEMBL14669392 0.94 PRMT1 (0.53) PRMT1MEN1KMT2ARECQLKDM4E
SCHEMBL13204584 0.89 NISCH (0.54) PRMT1RECQLNISCHLMNA
SCHEMBL20982791 0.87 PKN1 (0.64) PRMT1MEN1KMT2ARECQLKDM4E
SCHEMBL24312987 0.85 GAA (0.56) MEN1KMT2ARECQLKDM4EALDH1A1
SCHEMBL8842675 0.85 TOP2A (0.56) PRMT1ALDH1A1HPGDHSD17B10NISCH
SCHEMBL13167162 0.84 TOP2A (0.63) PRMT1ALDH1A1HPGDHSD17B10NISCH
SCHEMBL21900562 0.82 MEN1 (0.59) PRMT1MEN1KMT2ARECQLKDM4E
SCHEMBL14599548 0.81 PRMT1 (0.49) PRMT1NISCH
SCHEMBL21856214 0.81 MEN1 (0.48) PRMT1MEN1KMT2ARECQLKDM4E

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
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 EP disclosed