SCHEMBL29068393

SCHEMBL29068393

c1cc(-c2ccc(-c3cccc4nc[nH]c34)o2)c2[nH]cnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDPK1 O15530 1/20 0.35
CA12 O43570 1/20 0.35
ALOX15 P16050 1/20 0.35
CA9 Q16790 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ACVR1 Q04771 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL196912 0.84 PARP1 (0.42) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL7567751 0.76 ADORA3 (0.49) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL4978029 0.73 KDM4E (0.45) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL21323987 0.71 SMN1; SMN2 (0.44) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL29068390 0.70 BRD4 (0.48) PARP1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL3232202 0.70 PARP1 (0.41) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL3006856 0.69 AR (0.44) PARP1PDPK1ACVR1RAB9AQPCT
SCHEMBL1019602 0.68 QPCT (0.42) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL196737 0.68 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL4130388 0.68 PARP1 (0.56) PARP1SMN1; SMN2PDPK1CA12ALOX15

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
CN-114736372-B Polyimide film and preparation method thereof 深圳市华科创智技术有限公司 2023-08-01 CN disclosed