SCHEMBL29172201

SCHEMBL29172201

Nc1cc(N)c(-c2ccccc2)c(N)c1.c1ncncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
MAOA P21397 1/20 0.40
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ASIC3 Q9UHC3 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TNK2 Q07912 1/20 0.38
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.36
TDO2 P48775 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL28153334 0.89 MAOA (0.48) ATMMAOAHSD17B10TDP1CYP3A4
SCHEMBL24254914 0.85 HSD17B10 (0.56) MAOAHSD17B10TDP1CYP3A4TAAR1
Pyrimidine SCHEMBL28260241 0.77 RXFP1 (0.39) HSD17B10TDP1ADORA2AADORA1KMT2A
SCHEMBL25135347 0.77 HSD17B10 (0.48) MAOAHSD17B10TDP1CYP3A4TAAR1
SCHEMBL25135346 0.75 MAPT (0.52) MAOAHSD17B10TDP1CYP3A4TAAR1
SCHEMBL6513378 0.73 HSD17B10 (0.42) ATMHSD17B10TDP1CYP3A4TAAR1
SCHEMBL24129913 0.72 ACHE (0.45) MAOAHSD17B10TDP1CYP3A4TAAR1
Aniline SCHEMBL28434008 0.71 TSHR (0.69) ATMMAOAHSD17B10TDP1CYP3A4
Aniline SCHEMBL29250122 0.71 TSHR (0.69) ATMMAOAHSD17B10TDP1CYP3A4
Biphenyl SCHEMBL28814351 0.71 ATM (0.72) ATMHSD17B10TDP1CYP3A4TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114686922-B MOFs@COFs catalyst with core-shell structure, preparation method thereof and application thereof in electrochemical ammonia synthesis reaction 天津大学 2023-12-08 CN claimed
CN-114686922-B MOFs@COFs catalyst with core-shell structure, preparation method thereof and application thereof in electrochemical ammonia synthesis reaction 天津大学 2023-12-08 CN disclosed
CN-114686922-A MOFs @ COFs catalyst with core-shell structure, preparation method thereof and application of MOFs @ COFs catalyst in electrochemical ammonia synthesis reaction 天津大学 2022-07-01 CN disclosed