SCHEMBL31477334

SCHEMBL31477334

N[C@H](c1ccccc1)[C@H]1Oc2ncccc2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.34
▸ PARP1 P09874 3/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ OTUD7B Q6GQQ9 2/20 0.31

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
SCHEMBL31477192 0.73 IDO1 (0.46) IDO1SMN1; SMN2HSD17B10KDM4EALOX15
SCHEMBL31477220 0.73 BRD4 (0.42) BRD4MAPK1
SCHEMBL31477306 0.73 BRD4 (0.42) BRD4MAPK1
SCHEMBL31477187 0.73 GRIN2D (0.32) CYP1A2HSD17B10GRIN2DGRIN3BGRIN1
SCHEMBL31477285 0.72 GSK3B (0.43) GSK3BIDO1TDO2CYP1A2SMN1; SMN2
SCHEMBL31477058 0.72 GSK3B (0.43) GSK3BIDO1TDO2CYP1A2SMN1; SMN2
SCHEMBL31477191 0.72 GSK3B (0.43) GSK3BIDO1TDO2CYP1A2SMN1; SMN2
SCHEMBL31477218 0.72 GSK3B (0.43) GSK3BIDO1TDO2CYP1A2SMN1; SMN2
SCHEMBL24086608 0.71 PARP1 (0.56) GSK3BPARP1CYP1A2SMN1; SMN2OTUD7B
SCHEMBL31477518 0.71 HSD17B10 (0.40) GSK3BIDO1TDO2CYP1A2SMN1; SMN2

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-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 — — WO disclosed
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