SCHEMBL31466974

SCHEMBL31466974

COC(=O)c1ncc(Br)cc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
GCK P35557 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGDS O60760 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
ELANE P08246 1/20 0.41
TTR P02766 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL26984705 1.00 CYP1A2 (0.53) CYP1A2SMN1; SMN2CYP2C9CYP2C19GCK
SCHEMBL22309177 0.81 LMNA (0.49) CYP1A2GCK
SCHEMBL30457774 0.81 LMNA (0.49) CYP1A2GCK
SCHEMBL17161028 0.81 MAPT (0.42) CYP1A2KDM4EHSD17B10KMT2ARAB9A
SCHEMBL22116755 0.77 GRM5 (0.42) CYP1A2KDM4EHSD17B10KMT2ATDP1
SCHEMBL11170285 0.77 TDP1 (0.60) CYP1A2SMN1; SMN2CYP2C9CYP2C19GCK
SCHEMBL26984691 0.75 TDP1 (0.51) CYP1A2SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL31466991 0.75 TDP1 (0.51) CYP1A2SMN1; SMN2CYP2C9CYP2C19KDM4E
SCHEMBL21591101 0.74 L3MBTL1 (0.38) CYP1A2KDM4EHSD17B10RAB9ANPC1
SCHEMBL16926500 0.74 GCK (0.53) CYP1A2CYP2C9CYP2C19GCKKMT2A

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-119677716-A Pharmaceutical compositions comprising WRN helicase inhibitors 维维迪恩医疗公司 2025-03-21 CN disclosed