SCHEMBL7102309

SCHEMBL7102309

Cc1cc(C)c(N=C2C(=Nc3c(C)cc(C)cc3C)c3cccc4cccc2c34)c(C)c1.[Ni]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2A6 P11509 2/20 0.37
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL21114848 0.98 MEN1 (0.50) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL12304879 0.98 MEN1 (0.50) MEN1KMT2AALDH1A1HSD17B10HPGD
Bromide SCHEMBL6247031 0.95 MEN1 (0.48) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL5588451 0.87 POLB (0.47) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL2230195 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL2230200 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL19625540 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL5588478 0.85 POLB (0.49) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL21563329 0.85 POLB (0.49) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL5588472 0.85 POLB (0.49) MEN1KMT2AALDH1A1HSD17B10HPGD

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-1343928-A1 FLASH SPINNING POLYCYCLOPENTENE E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2003-09-17 EP disclosed
WO-2002048437-A1 FLASH SPINNING POLYCYCLOPENTENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-06-20 WO disclosed