SCHEMBL8880758

SCHEMBL8880758

CCON=C1c2cc(Cl)ccc2NC(=O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
TGM2 P21980 2/20 0.41
CES1 P23141 1/20 0.41
PGR P06401 4/20 0.39
MAPT P10636 1/20 0.39
MGAT1 P26572 1/20 0.37
MGAT3 Q09327 1/20 0.37
MGAT2 Q10469 1/20 0.37
IDO1 P14902 3/20 0.36
TDO2 P48775 2/20 0.36
LRRK2 Q5S007 3/20 0.36
MDM2 Q00987 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL8880752 1.00 MAOB (0.41) MAOBTGM2CES1PGRMAPT
SCHEMBL8880980 0.90 MDM2 (0.40) MAOBTGM2CES1PGRMAPT
SCHEMBL8303880 0.84 CHRM1 (0.42) TGM2CES1PGRIDO1TDO2
SCHEMBL8880601 0.84 CHRM1 (0.42) TGM2CES1PGRIDO1TDO2
SCHEMBL8296633 0.84 MAOB (0.47) MAOBTGM2CES1PGRMAPT
SCHEMBL8296634 0.84 MAOB (0.47) MAOBTGM2CES1PGRMAPT
SCHEMBL8302332 0.82 HPGD (0.34) TGM2CES1IDO1TDO2LRRK2
SCHEMBL8302328 0.82 HPGD (0.34) TGM2CES1IDO1TDO2LRRK2
SCHEMBL8881059 0.82 TGM2 (0.41) MAOBTGM2CES1PGRMAPT
SCHEMBL8881911 0.79 TGM2 (0.46) MAOBTGM2CES1PGRMAPT

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
US-5602146-A ANTIVIRAL AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed