SCHEMBL8199868

SCHEMBL8199868

CC(C)c1cc(C(=O)NCc2ccc3c(c2)OCO3)c(N)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
MMP13 P45452 1/20 0.56
HPGD P15428 6/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 3/20 0.56
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH2 P05091 1/20 0.53
TP53 P04637 1/20 0.52
CRHBP P24387 1/20 0.52
RECQL P46063 1/20 0.52
CRHR2 Q13324 1/20 0.52

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
SCHEMBL8209522 0.85 TDP1 (0.60) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8207225 0.84 HPGD (0.60) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8211804 0.83 LMNA (0.66) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL7421896 0.83 SMN1; SMN2 (0.59) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8212886 0.83 HPGD (0.58) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8200033 0.81 TDP1 (0.55) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8200310 0.81 HPGD (0.56) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8198891 0.80 TDP1 (0.53) MEN1KMT2ALMNAMAPK1MMP13
SCHEMBL8200561 0.79 TAAR1 (0.59) KMT2ALMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL8220300 0.78 MAPT (0.48) MEN1KMT2ALMNAMAPK1MMP13

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed