SCHEMBL31222084

SCHEMBL31222084

O=C(NNc1ccccc1Cl)c1cn(-c2nccs2)nc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
GRM4 Q14833 2/20 0.37
GAA P10253 3/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
P2RX7 Q99572 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR3C1 P04150 1/20 0.34
EPHX2 P34913 2/20 0.33
PIM1 P11309 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
PIM2 Q9P1W9 2/20 0.33

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
SCHEMBL31222095 0.89 GAA (0.42) GAAP2RX7ALDH1A1MEN1LMNA
SCHEMBL31222097 0.86 HSD17B10 (0.45) HSD17B10GAATP53ALDH1A1MEN1
SCHEMBL31222116 0.84 GAA (0.42) HSD17B10GAAP2RX7ALDH1A1MEN1
SCHEMBL31222129 0.84 GRM4 (0.39) HSD17B10GRM4GAAALDH1A1MEN1
SCHEMBL31222108 0.82 DGAT1 (0.41) GRM4GAAALDH1A1MEN1LMNA
SCHEMBL31222087 0.82 GRM4 (0.37) HSD17B10GRM4GAAP2RX7TP53
SCHEMBL31222101 0.82 GRM4 (0.37) HSD17B10GRM4GAAALDH1A1MEN1
SCHEMBL31222082 0.82 NPC1 (0.38) HSD17B10GRM4GAAL3MBTL1ALDH1A1
SCHEMBL31222123 0.80 ALDH1A1 (0.35) HSD17B10GAAL3MBTL1ALDH1A1MEN1
SCHEMBL31222118 0.80 LMNA (0.38) HSD17B10GRM4GAAALDH1A1MEN1

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-118994136-A Pyrazole compound containing N1-heterocycle, and preparation method and application thereof 安阳师范学院 2024-11-22 CN disclosed