SCHEMBL22760196

SCHEMBL22760196

CCN(CC)c1c(C(=O)O)n(-c2ccccc2)c2cc(Cl)c(Cl)c(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.38
S1PR1 P21453 2/20 0.36
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAT2A P31153 2/20 0.33
CCR2 P41597 1/20 0.33
PRMT5 O14744 1/20 0.33
CYP1A2 P05177 1/20 0.33
EDNRA P25101 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
NOTUM Q6P988 1/20 0.33
EGFR P00533 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL22760364 0.88 FOLH1 (0.37) FOLH1S1PR1TSHRLMNAALDH1A1
SCHEMBL22747858 0.83 FOLH1 (0.40) FOLH1TSHRLMNAALDH1A1GAA
SCHEMBL22760346 0.83 FOLH1 (0.45) FOLH1TSHRLMNAALDH1A1GAA
SCHEMBL22747865 0.82 FOLH1 (0.35) FOLH1TSHRLMNAALDH1A1GAA
SCHEMBL22760085 0.82 EDNRA (0.37) FOLH1TSHRLMNAALDH1A1GAA
SCHEMBL22760158 0.81 NOTUM (0.41) TSHRLMNAALDH1A1EDNRANOTUM
SCHEMBL22747829 0.80 FOLH1 (0.35) FOLH1S1PR1TSHRLMNAALDH1A1
SCHEMBL22760070 0.80 FOLH1 (0.35) FOLH1TSHRLMNAALDH1A1GAA
SCHEMBL22747870 0.79 FOLH1 (0.42) FOLH1MAT2APRMT5CYP1A2EDNRA
SCHEMBL22760379 0.79 SMN1; SMN2 (0.35) TSHRLMNAALDH1A1MAPTSMN1; 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 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