SCHEMBL22760171

SCHEMBL22760171

CCOC(=O)c1c(N(CC)CC)c2cc(F)c(F)cc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
MAT2A P31153 1/20 0.47
THRB P10828 2/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MAPK8 P45983 3/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
MDM2 Q00987 1/20 0.40

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
SCHEMBL22760130 0.92 ALDH1A1 (0.47) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22747888 0.87 FOLH1 (0.42) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22760219 0.83 MAPK8 (0.42) MAPTALDH1A1GAATHRBTP53
SCHEMBL22760123 0.83 ALDH1A1 (0.47) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22760543 0.83 ALDH1A1 (0.54) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22760343 0.83 ELANE (0.38) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22747883 0.81 MAPT (0.50) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22747856 0.81 ALDH1A1 (0.43) MAPTALDH1A1THRBTP53KMT2A
SCHEMBL22760095 0.80 MAPT (0.48) MAPTALDH1A1GAAMAT2ATHRB
SCHEMBL22760121 0.79 FOLH1 (0.39) MAPTALDH1A1GAAMEN1KMT2A

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 2 patents. 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
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed