SCHEMBL29472995

SCHEMBL29472995

Cc1cccc(-n2cc3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 12/20 0.57
ADORA1 P30542 7/20 0.57
ADORA2A P29274 4/20 0.57
ESR2 Q92731 1/20 0.47
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL18122030 1.00 ADORA3 (0.57) ADORA3ADORA1ADORA2AESR2MAPT
SCHEMBL28748648 0.86 ESR2 (0.46) ADORA3ADORA1ADORA2AESR2MAPT
SCHEMBL14005778 0.81 ADORA3 (0.54) ADORA3ADORA1ADORA2AESR2MAPT
SCHEMBL28541224 0.81 ADORA1 (0.59) ADORA3ADORA1ADORA2AESR2MAPT
SCHEMBL29472984 0.81 ADORA1 (0.59) ADORA3ADORA1ADORA2AESR2MAPT
SCHEMBL29472998 0.80 PARP1 (0.56) ADORA3ADORA2AESR2MAPTNPC1
SCHEMBL2627243 0.80 ESR2 (0.47) ADORA3ADORA1ADORA2AESR2MAPT
SCHEMBL28748736 0.80 ESR2 (0.47) ADORA3ESR2MAPTNPC1SMN1; SMN2
SCHEMBL28550590 0.80 PARP1 (0.56) ADORA3ADORA2AESR2MAPTNPC1
SCHEMBL29028688 0.80 NPC1 (0.46) ADORA3ADORA1ADORA2AESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184598-A Photocatalytic preparation method and application of N- (2-phenyl-2H-indazole-3-yl) benzamide compound 河南师范大学 2024-06-14 CN disclosed
CN-115385858-B Photocatalytic preparation method of 2-phenyl-2H-indazole-3-carboxamide compound 河南师范大学 2024-03-01 CN disclosed
CN-113698349-B Aqueous phase photocatalysis preparation method of 2- (2-phenyl-2H-indazole-3-yl) acetate compound 河南师范大学 2023-08-01 CN disclosed
CN-116332851-A Cyanomethyl phenyl indazole compound and preparation method thereof 河南中医药大学 2023-06-27 CN disclosed
CN-115385858-A Photocatalytic preparation method of 2-phenyl-2H-indazole-3-formamide compound 河南师范大学 2022-11-25 CN disclosed
CN-114989089-A Photocatalytic preparation method of 3-alkyl-2-phenyl indazole compound 河南师范大学 2022-09-02 CN disclosed
CN-112574112-B Method for synthesizing N-substituted 2H-indazole compound through oxidation 浙江工业大学 2022-03-18 CN disclosed