SCHEMBL29593189

SCHEMBL29593189

OCc1nsc2ccc(Br)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
EPAS1 Q99814 3/20 0.36
PDPK1 O15530 1/20 0.33
JAK2 O60674 1/20 0.33
PPM1A P35813 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EPM2A O95278 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
CA2 P00918 1/20 0.31
XDH P47989 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL17839829 1.00 CYP2A6 (0.38) CYP2A6LMNAMAPTEPAS1PDPK1
SCHEMBL20520481 0.86 LSS (0.35) LMNAMAPTEPAS1PPM1AXDH
SCHEMBL23088400 0.79 CYP2A6 (0.38) CYP2A6EPAS1L3MBTL1HTT
SCHEMBL29792735 0.79 CYP2A6 (0.38) CYP2A6EPAS1L3MBTL1HTT
SCHEMBL2967038 0.76 EPAS1 (0.38) CYP2A6MAPTEPAS1PDPK1JAK2
SCHEMBL15898942 0.73 CA2 (0.35) CYP2A6EPAS1CA2
SCHEMBL19141271 0.73 KDM4E (0.50) CYP2A6MAPTEPAS1
SCHEMBL30481262 0.72 EPAS1 (0.38) CYP2A6LMNAEPAS1PDPK1JAK2
SCHEMBL10164894 0.72 EPAS1 (0.38) CYP2A6LMNAEPAS1PDPK1JAK2
Hydrochloric Acid SCHEMBL10465963 0.70 CYP11B1 (0.49)

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
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed