SCHEMBL38661985

SCHEMBL38661985

O=C(Nc1ccccc1OCc1cnoc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P4HTM Q9NXG6 2/20 0.47
PTK2 Q05397 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
CASP3 P42574 3/20 0.46
SENP7 Q9BQF6 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GAA P10253 1/20 0.44
TOP2A P11388 1/20 0.44
MAPT P10636 1/20 0.43
AHR P35869 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 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
SCHEMBL38660185 0.83 BRD4 (0.70) BRD4TDP1L3MBTL1NPC1RAB9A
SCHEMBL11549645 0.83 BRD4 (0.70) BRD4TDP1L3MBTL1NPC1RAB9A
SCHEMBL38660891 0.79 MAPT (0.60) BRD4TDP1L3MBTL1RAB9AKMT2A
SCHEMBL38660786 0.79 P4HTM (0.51) BRD4TDP1L3MBTL1P4HTMPTK2
SCHEMBL38660474 0.78 PTK2 (0.55) BRD4TDP1L3MBTL1P4HTMPTK2
SCHEMBL5936687 0.77 BRD4 (0.65) BRD4TDP1L3MBTL1NPC1RAB9A
SCHEMBL38660438 0.77 P4HTM (0.46) BRD4TDP1L3MBTL1P4HTMPTK2
SCHEMBL38661290 0.76 MEN1 (0.55) BRD4TDP1L3MBTL1NPC1RAB9A
SCHEMBL38660247 0.75 BRD4 (0.52) BRD4TDP1L3MBTL1P4HTMNPC1
SCHEMBL95401 0.74 BRD4 (0.62) BRD4TDP1L3MBTL1NPC1RAB9A

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-122036638-A AKR1C3 inhibitor with tricyclic structure and application thereof 中国药科大学 2026-05-15 CN disclosed