SCHEMBL22760157

SCHEMBL22760157

CCOC(=O)c1c(N2CCCCC2)c2c(Cl)c(F)ccc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRMT1 Q99873 1/20 0.39

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
SCHEMBL22760115 0.87 MAPT (0.46) LMNAMAPTKDM4EGAAALDH1A1
SCHEMBL22760164 0.87 ALDH1A1 (0.38) TSHRLMNAMAPTKDM4EALDH1A1
SCHEMBL22760408 0.82 PIM1 (0.42) TSHRLMNAMAPTKDM4EGAA
SCHEMBL22760215 0.82 HPGD (0.51) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL22760162 0.82 TSHR (0.47) TSHRLMNAMAPTKDM4EGAA
SCHEMBL22747825 0.80 HPGD (0.45) TSHRLMNAMAPTGAAALDH1A1
SCHEMBL22760342 0.80 HPGD (0.45) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL22760232 0.79 HPGD (0.44) LMNAMAPTKDM4EALDH1A1MEN1
SCHEMBL22760172 0.77 MAPT (0.47) TSHRLMNAMAPTKDM4EGAA
SCHEMBL22747864 0.77 CCR2 (0.46) TSHRLMNAMAPTKDM4EALDH1A1

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