SCHEMBL25825665

SCHEMBL25825665

CCn1nc(C)cc1CNC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
GLS O94925 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
S1PR1 P21453 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL19650808 0.85 ADORA2B (0.40) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL21768349 0.78 GAA (0.43) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL2077294 0.76 SMN1; SMN2 (0.42) GLS
SCHEMBL15746137 0.76 GAA (0.42) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL1025675 0.76 GAA (0.39) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL3147328 0.73 GAA (0.40) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL1030394 0.73 GAA (0.44) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL3152782 0.73 GAA (0.41) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL6564214 0.72 GAA (0.59) GAAALDH1A1KDM4EGLAADORA2A
Ammonia Solution, Strong SCHEMBL1029966 0.72 GAA (0.42) GAAALDH1A1KDM4EGLAADORA2A

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-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed