SCHEMBL7912690

SCHEMBL7912690

CC(C)(C)c1cc(Nc2ccccc2-c2n[nH]c(=S)o2)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
TTR P02766 1/20 0.50
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
GFER P55789 1/20 0.47
CRHR2 Q13324 1/20 0.47
PPARG P37231 4/20 0.47
NCOA2 Q15596 4/20 0.47
RXFP1 Q9HBX9 4/20 0.47
NCOA1 Q15788 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PRNP P04156 1/20 0.47

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
SCHEMBL7913006 0.79 ALDH1A1 (0.56) TTRALDH1A1KDM4EMEN1KMT2A
SCHEMBL9181009 0.75 PTGS2 (1.00) PTGS2ALDH1A1KDM4EHPGDPPARG
SCHEMBL9261365 0.74 ALDH1A1 (0.49) TTRALDH1A1KDM4EMAPTPPARG
SCHEMBL7912879 0.71 ALDH1A1 (0.65) PTGS2TTRALDH1A1KDM4EMEN1
SCHEMBL9551818 0.68 ALDH1A1 (0.40) TTRALDH1A1KDM4EMEN1KMT2A
SCHEMBL7910151 0.67 ALDH1A1 (0.46) TTRALDH1A1KDM4EMEN1KMT2A
SCHEMBL8971777 0.67 PTGS1 (0.64) PTGS2TTRALDH1A1MEN1KMT2A
SCHEMBL7902562 0.67 ALDH1A1 (0.48) TTRALDH1A1KDM4EMEN1KMT2A
SCHEMBL7902568 0.67 ALDH1A1 (0.48) TTRALDH1A1KDM4EMEN1KMT2A
SCHEMBL7902075 0.67 CLCN2 (0.57) PTGS2TTRALDH1A1KDM4EMEN1

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-6211209-B1 NONDEGRADING TISSUES, DRUGS, DIPHENYLAMINES WARNER-LAMBERT COMPANY 2001-04-03 US claimed
US-6211209-B1 NONDEGRADING TISSUES, DRUGS, DIPHENYLAMINES WARNER-LAMBERT COMPANY 2001-04-03 US disclosed