SCHEMBL28468166

SCHEMBL28468166

CCSc1c(C(=O)O)nc2n1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 4/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MTHFD2 P13995 1/20 0.34

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
SCHEMBL21357550 0.84 MAPT (0.50) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL21357724 0.74 MAPK1 (0.38) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL21363297 0.72 ALDH1A1 (0.37) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL24079283 0.72 MAPK1 (0.40) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL19909627 0.72 MAPK1 (0.43) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL28470543 0.72 MAPK1 (0.40) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL28626993 0.72 MAPK1 (0.40) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL18357561 0.69 POLB (0.41) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL19148226 0.67 POLB (0.43) MAPK1ALDH1A1MAPTRAB9ANPC1
SCHEMBL3856441 0.67 REN (0.49) MAPK1ALDH1A1MAPTRAB9ANPC1

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-111836815-A Fused bicyclic heterocyclic derivatives as pest control agents 拜耳公司 2020-10-27 CN disclosed