SCHEMBL25759871

SCHEMBL25759871

COc1ccc(CNC(C)c2cc(F)ccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ATM Q13315 1/20 0.46
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAP2K4 P45985 1/20 0.43

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
SCHEMBL5266040 0.88 CASR (0.53) CASRMEN1KMT2ATDP1LMNA
SCHEMBL5268907 0.85 CASR (0.53) CASRMEN1KMT2AATMPOLB
SCHEMBL25759627 0.84 MEN1 (0.46) CASRMEN1KMT2AATMHTR2A
SCHEMBL5269060 0.82 CASR (0.56) CASRMEN1KMT2APOLBTDP1
SCHEMBL5272819 0.81 CASR (0.51) CASRMEN1KMT2AHTR2ASLC6A4
SCHEMBL5268791 0.80 CASR (0.53) CASRMEN1KMT2ATDP1LMNA
SCHEMBL5273132 0.77 CASR (0.57) CASRMEN1KMT2ATDP1LMNA
SCHEMBL5273084 0.77 CASR (0.57) CASRMEN1KMT2APOLBTDP1
SCHEMBL5267036 0.74 CASR (0.61) CASRMEN1KMT2ASLC6A4TDP1
SCHEMBL5273390 0.74 TDP1 (0.45) CASRMEN1KMT2AHTR2ASLC6A4

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-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed