SCHEMBL8200310

SCHEMBL8200310

CCCCc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(N)s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PKM P14618 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 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 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.51
MMP13 P45452 1/20 0.51
TP53 P04637 1/20 0.50
CRHBP P24387 1/20 0.50
RECQL P46063 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL8212886 0.94 HPGD (0.58) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8207225 0.89 HPGD (0.60) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL7889258 0.84 SMN1; SMN2 (0.57) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8209522 0.84 TDP1 (0.60) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8211804 0.81 LMNA (0.66) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8206042 0.81 TDP1 (0.53) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8199868 0.81 MEN1 (0.56) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8199932 0.80 MEN1 (0.51) HPGDMEN1KMT2APKMPOLB
SCHEMBL7429168 0.77 SMN1; SMN2 (0.59) HPGDMEN1KMT2APKMALDH1A1
SCHEMBL8206225 0.75 TDP1 (0.54) HPGDMEN1KMT2APKMALDH1A1

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