SCHEMBL25759627

SCHEMBL25759627

CCC(NCc1ccc(OC)cc1)c1cc(F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ADRB2 P07550 1/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAP2K4 P45985 1/20 0.42
CASR P41180 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL25759871 0.84 CASR (0.52) MEN1KMT2AMAPK1TDP1MITF
SCHEMBL5268907 0.72 CASR (0.53) MEN1KMT2AADRB2MAPK1MITF
SCHEMBL5266040 0.72 CASR (0.53) MEN1KMT2ATDP1LMNAHTT
SCHEMBL8092329 0.71 TDP1 (0.59) MEN1KMT2ATDP1HTTCASR
SCHEMBL11494874 0.70 ALDH1A1 (0.41) ADRB2TDP1CASRMAPTALDH1A1
SCHEMBL25285992 0.69 MAPT (0.56) LMNAMAPTALDH1A1POLBGAA
SCHEMBL5269060 0.69 CASR (0.56) MEN1KMT2ATDP1HTTCASR
SCHEMBL7188329 0.68 HTR2A (0.71) HTR2ASLC6A4KCNH2
SCHEMBL27826995 0.68 TDP1 (0.56) MEN1KMT2ATDP1CNR2HTT
SCHEMBL6552029 0.68 TDP1 (0.56) MEN1KMT2ATDP1CNR2HTT

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