SCHEMBL31222077

SCHEMBL31222077

Cc1nn(-c2nccs2)cc1C(=O)NNc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.38
F10 P00742 1/20 0.37
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
KCNMA1 Q12791 2/20 0.36
P2RX7 Q99572 1/20 0.36
GCK P35557 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL31222129 0.88 GRM4 (0.39) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL31222078 0.87 GAA (0.43) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222071 0.87 GAA (0.43) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222114 0.85 ALDH1A1 (0.47) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222074 0.85 GAA (0.43) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222091 0.85 GAA (0.43) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222095 0.85 GAA (0.42) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222080 0.79 RAB9A (0.46) GAAMAPTALDH1A1LMNATDP1
SCHEMBL31222111 0.79 GAA (0.46) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL31222088 0.77 AURKA (0.38) GAAMAPTALDH1A1TDP1KMT2A

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