SCHEMBL9551817

SCHEMBL9551817

CC(=O)N(O)C(C)c1cccc(Nc2ccccc2-c2n[nH]c(=S)o2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
PPARG P37231 5/20 0.42
NCOA2 Q15596 5/20 0.42
RXFP1 Q9HBX9 5/20 0.42
NCOA1 Q15788 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PRNP P04156 2/20 0.42
MAPK10 P53779 2/20 0.42
TTR P02766 1/20 0.40
STAT3 P40763 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35

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
SCHEMBL9551834 0.93 ALDH1A1 (0.42) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL9551854 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL9551819 0.90 NOTUM (0.44) PPARG
SCHEMBL9551848 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL7910151 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL7912983 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL9551839 0.82 NOTUM (0.44) MAPK1
SCHEMBL9551818 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EPPARGNCOA2RXFP1
SCHEMBL9551846 0.80 NOTUM (0.42) PPARG
SCHEMBL9551861 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EPPARGNCOA2RXFP1

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
US-5212189-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1993-05-18 US claimed
US-5212189-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1993-05-18 US disclosed