SCHEMBL16702152

SCHEMBL16702152

Brc1c2nc(-c3ccccc3)c(-c3ccccc3)nc2c(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47
PIK3CG P48736 1/20 0.47
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
XDH P47989 1/20 0.44
KDM4E B2RXH2 7/20 0.43
GAA P10253 4/20 0.43
ALDH1A1 P00352 8/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL7692593 0.89 DHFR (0.43) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL11980224 0.88 DHFR (0.40) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL13197741 0.84 LMNA (0.54) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL1322385 0.83 DHFR (0.46) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL29423330 0.83 DHFR (0.46) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL12131349 0.79 ALDH1A1 (0.46) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL1323196 0.79 DHFR (0.43) DHFRPIK3CGLMNAMEN1KMT2A
SCHEMBL24501024 0.79 LMNA (0.50) LMNAMEN1KMT2ATDP1L3MBTL1
SCHEMBL65673 0.78 KMT2A (0.59) LMNAMEN1KMT2ATDP1L3MBTL1
SCHEMBL7695816 0.76 ALDH1A1 (0.43) MEN1KMT2ATP53MAPK1ADORA2A

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-3066147-A2 CONJUGATED POLYMERS Merck Patent GmbH (DE) 2016-09-14 EP disclosed
WO-2015067336-A2 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2015-05-14 WO disclosed