SCHEMBL28864639

SCHEMBL28864639

Oc1ccccc1N=Nc1ccccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 4/20 0.67
MAPT P10636 4/20 0.67
HTT P42858 4/20 0.67
NPC1 O15118 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
BCL2L1 Q07817 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CASP3 P42574 3/20 0.57
SENP7 Q9BQF6 3/20 0.57
SENP6 Q9GZR1 3/20 0.57
SENP8 Q96LD8 2/20 0.57
TDP1 Q9NUW8 2/20 0.50
HSP90AA1 P07900 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BACE1 P56817 1/20 0.48

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
Methane SCHEMBL3133791 0.89 CASP3 (0.68) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3266654 0.87 CASP3 (0.71) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3999159 0.87 CASP3 (0.71) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL28110778 0.85 CASP3 (0.50) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL593470 0.85 MAPT (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
Benzene SCHEMBL27584795 0.85 MAPT (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL574042 0.82 MAPT (1.00) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL29354111 0.82 MAPT (1.00) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL131175 0.82 MAPT (1.00) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL29499160 0.80 CASP3 (0.83) ALDH1A1HPGDBCL2L1HSD17B10CASP3

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
CN-115200932-A On-line monitoring system for total thallium in water quality 深圳市宇驰环境技术有限公司 2022-10-18 CN disclosed