SCHEMBL25810203

SCHEMBL25810203

CCOC(=O)c1sc2cc(Br)ccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.45
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 8/20 0.44
LMNA P02545 3/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRB2 P47870 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
SCHEMBL31011039 1.00 MAPT (0.50) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL10947088 0.89 KMT2A (0.50) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL31483496 0.86 MAPT (0.49) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL6824033 0.86 MAPT (0.49) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL17204642 0.85 ALDH1A1 (0.47) MAPTKMT2ARAB9AKDM4EMEN1
SCHEMBL16396278 0.83 ALDH1A1 (0.51) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL3680399 0.83 MCL1 (0.50) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL1547808 0.81 MAPT (0.44) MAPTKMT2ANPC1RAB9AKDM4E
SCHEMBL2895958 0.80 GPR35 (0.58) KMT2ANPC1MEN1SMN1; SMN2NPSR1
SCHEMBL25946765 0.80 MAPT (0.46) MAPTKMT2ANPC1RAB9AKDM4E

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed