SCHEMBL11097672

SCHEMBL11097672

COC(=O)C(NC(=O)C(S)C(=O)c1ccccc1)C(NC(=O)C(S)C(=O)c1ccccc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL20133901 0.83 KMT2A (0.51) KMT2ATSHRGAAPTGS1PTGS2
SCHEMBL8596103 0.79 HSD17B10 (0.43) KMT2AALDH1A1LMNAGLATDP1
SCHEMBL2417683 0.73 TDP1 (0.56) KMT2ATSHRGAAALDH1A1LMNA
SCHEMBL11098132 0.73 NPC1 (0.42) KMT2AGAALMNANPC1RAB9A
SCHEMBL8845741 0.72 KMT2A (0.55) KMT2ATSHRGAAPTGS1PTGS2
SCHEMBL2097359 0.72 KMT2A (0.55) KMT2ATSHRGAAPTGS1PTGS2
SCHEMBL8980460 0.71 KMT2A (0.46) KMT2AGAAHTTLMNACYP3A4
SCHEMBL16453798 0.71 KMT2A (0.53) KMT2ATSHRGAAPTGS1PTGS2
SCHEMBL6662043 0.71 KMT2A (0.53) KMT2ATSHRGAAPTGS1PTGS2
SCHEMBL7735376 0.71 KMT2A (0.53) KMT2ATSHRGAAPTGS1PTGS2

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-4444690-A RADIOPHARMACEUTICALS FOR MAMMALIAN RENAL SYSTEMS UNIVERSITY PATENTS, INC. (US) 1984-04-24 US disclosed