SCHEMBL29923349

SCHEMBL29923349

COCc1cc(OC)cc2c(Br)ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALOX12 P18054 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NSD2 O96028 2/20 0.35
CASP6 P55212 2/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL24915807 1.00 KDM4E (0.38) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL24916137 0.87 NSD2 (0.38) KDM4EHTTRAB9AMAPTSMN1; SMN2
SCHEMBL29923321 0.87 NSD2 (0.38) KDM4EHTTRAB9AMAPTSMN1; SMN2
SCHEMBL29923413 0.85 CYP19A1 (0.38) KDM4EALOX12HTTRAB9AMAPT
SCHEMBL24916306 0.85 CYP19A1 (0.38) KDM4EALOX12HTTRAB9AMAPT
SCHEMBL24916107 0.84 KDM4E (0.38) KDM4EL3MBTL1NSD2CASP6CCR1
SCHEMBL29923797 0.84 KDM4E (0.38) KDM4EL3MBTL1NSD2CASP6CCR1
SCHEMBL24916497 0.82 KDM4E (0.41) KDM4EHTTL3MBTL1NSD2CASP6
SCHEMBL24915832 0.81 KDM4E (0.38) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL29923777 0.81 KDM4E (0.38) KDM4EALOX12HTTNPC1RAB9A

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