SCHEMBL22760079

SCHEMBL22760079

CN(C)c1c(C(=O)O)n(-c2ccccc2)c2ccc(Cl)c(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 4/20 0.41
FOLH1 Q04609 1/20 0.39
CCR2 P41597 3/20 0.36
EDNRA P25101 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
MAPT P10636 1/20 0.34
NOTUM Q6P988 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GFER P55789 1/20 0.33
PRMT5 O14744 1/20 0.33
TP53 P04637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL22760062 0.87 EDNRA (0.39) MAT2AFOLH1EDNRAALDH1A1GAA
SCHEMBL22760364 0.87 FOLH1 (0.37) MAT2AFOLH1CCR2EDNRAALDH1A1
SCHEMBL22760158 0.78 NOTUM (0.41) EDNRAALDH1A1TSHRLMNANOTUM
SCHEMBL22760379 0.78 SMN1; SMN2 (0.35) ALDH1A1TSHRLMNAMAPTNOTUM
SCHEMBL22760495 0.77 FOLH1 (0.37) FOLH1CCR2EDNRAALDH1A1GAA
SCHEMBL22760070 0.77 FOLH1 (0.35) MAT2AFOLH1CCR2EDNRAALDH1A1
SCHEMBL22760085 0.77 EDNRA (0.37) MAT2AFOLH1EDNRAALDH1A1GAA
SCHEMBL22747865 0.77 FOLH1 (0.35) MAT2AFOLH1EDNRAALDH1A1GAA
SCHEMBL22747829 0.77 FOLH1 (0.35) FOLH1EDNRAALDH1A1GAATSHR
SCHEMBL22747822 0.76 GAA (0.38) FOLH1EDNRAALDH1A1GAATSHR

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