SCHEMBL31222071

SCHEMBL31222071

CCc1nn(-c2nccs2)cc1C(=O)NNc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
KCNMA1 Q12791 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GCK P35557 1/20 0.34
DDR1 Q08345 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL31222081 0.90 KCNMA1 (0.40) ALDH1A1KMT2AAVPR2GPR27KCNMA1
SCHEMBL31222082 0.89 NPC1 (0.38) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL31222077 0.87 GAA (0.45) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL31222103 0.86 ALDH1A1 (0.43) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL31222078 0.85 GAA (0.43) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL31222091 0.83 GAA (0.43) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL31222074 0.83 GAA (0.43) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL31222095 0.82 GAA (0.42) GAAMAPTTDP1ALDH1A1LMNA
SCHEMBL31222096 0.81 NR3C1 (0.49) MAPTLMNAKMT2AMEN1AVPR2
SCHEMBL31222121 0.80 HSD17B10 (0.39) GAAMAPTTDP1ALDH1A1LMNA

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