SCHEMBL31222076

SCHEMBL31222076

CCc1nn(-c2nccs2)cc1C(=O)NNc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 3/20 0.37
GFER P55789 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL31222119 0.91 GAA (0.39) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL31222103 0.90 ALDH1A1 (0.43) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222085 0.90 SMN1; SMN2 (0.39) GAAALDH1A1MAPTHPGDTDP1
SCHEMBL31222121 0.90 HSD17B10 (0.39) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222094 0.86 GAA (0.47) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222099 0.84 ALDH1A1 (0.40) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222073 0.83 GAA (0.41) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222124 0.82 GAA (0.40) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222106 0.81 GAA (0.39) GAAALDH1A1LMNAMAPTCYP1A2
SCHEMBL31222096 0.80 NR3C1 (0.49) LMNAMAPTCYP1A2CYP2C9MEN1

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