SCHEMBL17988751

SCHEMBL17988751

CC[N+]1=C(C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
CYP1A2 P05177 5/20 0.39
APEX1 P27695 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ATIC P31939 2/20 0.34
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP2 Q9HC62 2/20 0.34
SNCA P37840 1/20 0.32

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
SCHEMBL18531201 0.90 TTR (0.40) TTRMEN1KMT2ATDP1LMNA
SCHEMBL17988752 0.84 MEN1 (0.45) TTRMEN1KMT2ATDP1LMNA
SCHEMBL14969392 0.83 CYP1A2 (0.36) TTRMEN1KMT2ATDP1LMNA
SCHEMBL14823545 0.83 FOLH1 (0.43) MEN1KMT2ATDP1LMNAHTT
SCHEMBL12146314 0.82 MEN1 (0.39) TTRMEN1KMT2ATDP1LMNA
SCHEMBL14963000 0.80 TDP1 (0.46) MEN1KMT2ATDP1LMNAHTT
SCHEMBL14823554 0.80 TDP1 (0.40) MEN1KMT2ATDP1LMNAHTT
SCHEMBL19113835 0.79 FOLH1 (0.38) TTRMEN1KMT2ATDP1MAPT
SCHEMBL14347674 0.79 MEN1 (0.42) MEN1KMT2ATDP1LMNAHTT
SCHEMBL14883322 0.76 MEN1 (0.42) MEN1KMT2ATDP1LMNAHTT

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-9409923-B2 Drug-fluorophore complex for specific detection of tumor cells KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-09 US disclosed