SCHEMBL22864698

SCHEMBL22864698

CCOC(CNC(=O)c1ccc(I)cc1Br)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 7/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 5/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 3/20 0.36
EPHX1 P07099 1/20 0.36
HTT P42858 1/20 0.36
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL29651323 0.91 KMT2A (0.43) MAPK1KMT2ANPSR1MEN1TP53
SCHEMBL31373229 0.75 MEN1 (0.45) MAPK1KMT2ANPSR1MEN1TP53
SCHEMBL27107138 0.75 MEN1 (0.45) MAPK1KMT2ANPSR1MEN1TP53
SCHEMBL23865174 0.74 HPGD (0.52) MAPK1ATMKMT2ANPSR1MEN1
SCHEMBL25151377 0.73 MAPK1 (0.61) ADORA2AMAPK1ATMKMT2AMEN1
SCHEMBL16092693 0.72 MAPK1 (0.56) MAPK1ATMKMT2ANPSR1MEN1
SCHEMBL6314167 0.71 HPGD (0.47) ADORA2AMAPK1ATMKMT2ANPSR1
SCHEMBL7603053 0.71 MEN1 (0.56) MAPK1ATMKMT2ANPSR1MEN1
SCHEMBL27106513 0.70 ATM (0.43) ADORA2AMAPK1ATMKMT2ANPSR1
SCHEMBL20505282 0.70 HPGD (0.49) KMT2ANPSR1MEN1TP53MAPT

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
WO-2021000935-A1 HPK1 INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2021-01-07 WO disclosed