SCHEMBL28455262

SCHEMBL28455262

Cc1ccccc1-n1nnnc1N

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.62
TSHR P16473 4/20 0.62
HTT P42858 3/20 0.54
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
HSD11B1 P28845 1/20 0.47
TP53 P04637 1/20 0.46
KCNN4 O15554 2/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
P2RX7 Q99572 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL13322089 0.81 ALDH1A1 (0.66) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL28463318 0.79 LMNA (0.48) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL11175731 0.78 ALDH1A1 (0.62) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL28898079 0.78 ALDH1A1 (0.51) ALDH1A1TSHRLMNATP53KCNN4
SCHEMBL28456095 0.78 KCNN4 (0.44) ALDH1A1TSHRHTTLMNATP53
SCHEMBL11638648 0.78 ALDH1A1 (0.62) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL28449970 0.78 KCNN4 (0.60) KCNN4
SCHEMBL28451467 0.78 KCNN4 (0.46) ALDH1A1TSHRHTTLMNATP53
SCHEMBL28459512 0.77 NPC1 (0.39) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL28452437 0.77 ALDH1A1 (0.44) ALDH1A1TSHRHTTLMNAL3MBTL1

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-107501198-B Sulfoxide tetrazole derivative and preparation method and application thereof 南京农业大学 2020-08-18 CN disclosed