SCHEMBL29923489

SCHEMBL29923489

COc1cc(Br)cc2c(O)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.43
NSD2 O96028 2/20 0.40
CASP6 P55212 2/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HSP90AA1 P07900 2/20 0.39
NPC1 O15118 1/20 0.39
APP P05067 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MMP14 P50281 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 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
SCHEMBL24916490 1.00 NQO2 (0.43) NQO2NSD2CASP6MEN1KMT2A
SCHEMBL9073161 0.82 NOS3 (0.41) NSD2CASP6MEN1KMT2AHSP90AA1
SCHEMBL29923412 0.78 PTGS2 (0.43) NSD2CASP6MEN1KMT2AHSP90AA1
SCHEMBL24916083 0.78 PTGS2 (0.43) NSD2CASP6MEN1KMT2AHSP90AA1
SCHEMBL731409 0.78 HTT (0.40) NQO2MEN1KMT2AHSP90AA1NPC1
SCHEMBL19878145 0.77 NQO2 (0.41) NQO2MEN1KMT2ANPC1MAPT
SCHEMBL24916103 0.75 NOS3 (0.41) NSD2CASP6MEN1KMT2AHSP90AA1
SCHEMBL29924149 0.75 NOS3 (0.41) NSD2CASP6MEN1KMT2AHSP90AA1
SCHEMBL21494370 0.75 KDM4E (0.40) CASP6MEN1KMT2AHSP90AA1MAPT
SCHEMBL31337072 0.75 HTR1A (0.59) NQO2NSD2CASP6MEN1KMT2A

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-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP disclosed