SCHEMBL9082172

SCHEMBL9082172

COCOc1cccc(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
HTR7 P34969 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 3/20 0.34
MAPK1 P28482 1/20 0.34
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 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
SCHEMBL16507220 0.90 PTPN1 (0.42) PTPN1HTR7SMN1; SMN2MAPTL3MBTL1
SCHEMBL29572501 0.83 HTR7 (0.53) HTR7SMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL755670 0.83 HTR7 (0.53) HTR7SMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL29493419 0.82 PTPN1 (0.49) PTPN1SMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL19617278 0.82 PTPN1 (0.49) PTPN1SMN1; SMN2MAPTL3MBTL1HPGD
SCHEMBL6564781 0.82 PTPN1 (0.41) PTPN1HTR7SMN1; SMN2MAPTL3MBTL1
SCHEMBL17919290 0.82 PTPN1 (0.45) PTPN1HTR7SMN1; SMN2MAPTL3MBTL1
SCHEMBL6004407 0.81 KCNN4 (0.40) PTPN1SMN1; SMN2L3MBTL1CYP2C19CHEK1
SCHEMBL363904 0.81 ALDH1A1 (0.41) PTPN1SMN1; SMN2MAPTHPGDCYP2C19
SCHEMBL23074907 0.81 MRGPRX4 (0.46) PTPN1HTR7SMN1; SMN2MAPTL3MBTL1

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-1996015111-A1 METHOD AND INTERMEDIATES FOR THE SYNTHESIS OF KORUPENSAMINES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-05-23 WO disclosed