SCHEMBL28569827

SCHEMBL28569827

Cc1cc(C)nc(S)n1.[Ni]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 3/20 0.40
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.36
HTT P42858 1/20 0.34
GAA P10253 4/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL51447 0.97
Hydrochloric Acid SCHEMBL5909839 0.94 POLB (0.46) POLBAPOBEC3GLMNANOS3NOS2
Methyl Alcohol SCHEMBL28197604 0.91 POLB (0.43) POLBAPOBEC3GLMNANOS3NOS2
Alcohol SCHEMBL28466347 0.84 KMT2A (0.42) POLBAPOBEC3GLMNAHTTGAA
Bicarbonate SCHEMBL11792002 0.84 KDM4E (0.44) POLBAPOBEC3GLMNAHTTGAA
SCHEMBL5697745 0.82
SCHEMBL11809949 0.80 SMN1; SMN2 (0.44) POLBAPOBEC3GLMNAHTTGAA
SCHEMBL11756629 0.80 POLB (0.36) POLBAPOBEC3GLMNASMN1; SMN2
SCHEMBL23011369 0.78
SCHEMBL91110 0.78

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-112608207-A Preparation of 4, 6-dimethyl-2-mercaptopyrimidine divalent nickel complexα-Use in alkyl ketones 亳州学院 2021-04-06 CN claimed
CN-112608207-A Preparation of 4, 6-dimethyl-2-mercaptopyrimidine divalent nickel complexα-Use in alkyl ketones 亳州学院 2021-04-06 CN disclosed
CN-112608207-A Preparation of 4, 6-dimethyl-2-mercaptopyrimidine divalent nickel complexα-Use in alkyl ketones 亳州学院 2021-04-06 CN disclosed