SCHEMBL22816626

SCHEMBL22816626

COCOc1cc(Br)cc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
PDGFRB P09619 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
SCHEMBL14909856 0.87 KDM4E (0.52) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL30674020 0.84 NQO2 (0.53) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL3344053 0.84 NQO2 (0.53) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL21241466 0.83 PSMD14 (0.53) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL5259486 0.79 RAB9A (0.60) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL8135776 0.78 LMNA (0.47) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL20521768 0.78 NPC1 (0.54) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL23994518 0.78 KDM4E (0.43) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL14909268 0.78 NPC1 (0.51) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL30224194 0.78 KDM4E (0.43) KDM4ELMNASMN1; SMN2NPC1RAB9A

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
WO-2024081789-A2 HISTONE DEMETHYLASE INHIBITORS FOR TREATING CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-18 WO disclosed
WO-2020257733-A1 HISTONE DEMETHYLASE INHIBITORS FOR TREATING CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-12-24 WO disclosed