SCHEMBL29928830

SCHEMBL29928830

O=C(O)c1ccc(-c2ccc(F)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 9/20 0.57
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
P4HA1 P13674 1/20 0.52
MIF P14174 1/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 1/20 0.50
MAP4K4 O95819 2/20 0.49
EGLN1 Q9GZT9 1/20 0.44
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43

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
SCHEMBL2636731 1.00 P4HTM (0.57) P4HTMBCL2L1BADP4HA1MIF
SCHEMBL13731115 0.88 P4HTM (0.64) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL16595457 0.85 BCL2L1 (0.46) P4HTMBCL2L1BADMAP4K4EGLN1
SCHEMBL29929320 0.84 HIF1A (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL71034 0.84 HIF1A (0.55) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL110129 0.84 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL30449388 0.84 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL14815618 0.83 GRIN1 (0.45) P4HTMBCL2L1BADALDH1A1MAP4K4
SCHEMBL27961477 0.83 KMT2A (0.51) BCL2L1BADMAP4K4MAPK1
SCHEMBL11044314 0.82 P4HTM (0.53) P4HTMBCL2L1P4HA1MIFKDM4E

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
CN-112279888-B Polypeptide inhibitor of APC/Asef interaction and application thereof 上海交通大学医学院 2022-09-13 CN disclosed