SCHEMBL22760095

SCHEMBL22760095

CCOC(=O)c1c(N(CC)CC)c2c(Cl)c(F)ccc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 4/20 0.43
THRB P10828 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
RECQL P46063 1/20 0.38
MAT2A P31153 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL22747883 0.89 MAPT (0.50) MAPTALDH1A1GAATP53THRB
SCHEMBL22760085 0.88 EDNRA (0.37) MAPTALDH1A1GAATP53THRB
SCHEMBL22748351 0.88 MAPT (0.48) MAPTALDH1A1GAATP53THRB
SCHEMBL22760094 0.84 ALDH1A1 (0.51) MAPTALDH1A1GAATP53THRB
SCHEMBL22760115 0.81 MAPT (0.46) MAPTALDH1A1GAATP53THRB
SCHEMBL22760082 0.80 NOTUM (0.38) MAPTALDH1A1GAATP53THRB
SCHEMBL22760130 0.80 ALDH1A1 (0.47) MAPTALDH1A1GAATP53THRB
SCHEMBL22748263 0.80 MAPK8 (0.40) MAPTALDH1A1GAATP53THRB
SCHEMBL22760171 0.80 MAPT (0.51) MAPTALDH1A1GAATP53THRB
SCHEMBL22760364 0.78 FOLH1 (0.37) MAPTALDH1A1GAATP53SMN1; SMN2

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed