SCHEMBL31050871

SCHEMBL31050871

COc1cc(Br)c(C#N)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PIM1 P11309 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKDC P78527 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
EGFR P00533 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
NQO2 P16083 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31050870 1.00 POLB (0.38) POLBL3MBTL1KDM4EPIM1MAPT
SCHEMBL4406875 0.78 KDM4E (0.42) KDM4EMAPTKMT2ASQORLMNA
SCHEMBL25330482 0.78 SQOR (0.38) POLBL3MBTL1KDM4EPIM1MAPT
SCHEMBL17929423 0.78 PIM1 (0.39) KDM4EPIM1MAPTNPSR1MEN1
SCHEMBL15845854 0.77 NPSR1 (0.49) POLBL3MBTL1KDM4EPIM1MAPT
SCHEMBL4953802 0.76 CA2 (0.34) PIM1MEN1KMT2ASQOR
SCHEMBL9678358 0.76 POLB (0.46) POLBL3MBTL1MAPTNPSR1PRKDC
SCHEMBL31050846 0.75 P2RX3 (0.36) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL18112970 0.74 MEN1 (0.44) POLBL3MBTL1KDM4EMAPTNPSR1
SCHEMBL14782648 0.74 MAPT (0.41) L3MBTL1KDM4EPIM1MAPTNPSR1

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-2024169790-A1 SULFOXIDE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2024-08-22 WO disclosed