SCHEMBL38660438

SCHEMBL38660438

O=C(Nc1ccccc1OCc1ncon1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.46
GAA P10253 2/20 0.45
PTK2 Q05397 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRD4 O60885 1/20 0.45
AHR P35869 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL38660474 0.79 PTK2 (0.55) P4HTMGAAPTK2TDP1L3MBTL1
SCHEMBL38660185 0.78 BRD4 (0.70) GAATDP1L3MBTL1BRD4NPC1
SCHEMBL11549645 0.78 BRD4 (0.70) GAATDP1L3MBTL1BRD4NPC1
SCHEMBL38660786 0.78 P4HTM (0.51) P4HTMGAAPTK2TDP1L3MBTL1
SCHEMBL38661985 0.77 BRD4 (0.50) P4HTMGAAPTK2TDP1L3MBTL1
SCHEMBL11159971 0.77 MAPT (0.49) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL38660615 0.75 AKR1C3 (0.71) ALDH1A1KDM4EMAPTTSHRNPSR1
SCHEMBL38661290 0.74 MEN1 (0.55) TDP1L3MBTL1BRD4NPC1RAB9A
SCHEMBL12427892 0.74 MAPK1 (0.58) P4HTMGAAPTK2L3MBTL1AHR
SCHEMBL8970981 0.74 PTK2 (0.70) P4HTMGAAPTK2AHRNPC1

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