SCHEMBL3400607

SCHEMBL3400607

CC(C)(C)c1ccc(C(=O)NC(=O)N(S)c2ccc(C(N)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
NR1H4 Q96RI1 2/20 0.51
ESRRG P62508 2/20 0.49
HDAC1 Q13547 2/20 0.45
POLB P06746 1/20 0.41
GRIN2C Q14957 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
Hydrochloric Acid SCHEMBL3400227 0.99 EPHX2 (0.50) EPHX2NR1H4ESRRGHDAC1POLB
SCHEMBL907337 0.89 EPHX2 (0.51) EPHX2NR1H4ESRRGHDAC1POLB
Hydrochloric Acid SCHEMBL3724825 0.85 MAOB (0.43) LMNARAB9A
SCHEMBL7947659 0.85 KIF11 (0.49) EPHX2NR1H4ESRRGALDH1A1MAPT
Hydrochloric Acid SCHEMBL3714477 0.84 ALDH1A1 (0.42) HDAC1ALDH1A1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL3718123 0.84 HDAC6 (0.45) ESRRGHDAC1POLBALDH1A1LMNA
SCHEMBL907583 0.83 NR1H4 (0.54) EPHX2NR1H4ESRRGALDH1A1MAPT
Hydrochloric Acid SCHEMBL3717428 0.82 OGG1 (0.44) HDAC1POLBALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3714962 0.82 ALDH1A1 (0.44) POLBALDH1A1LMNAMAPTMEN1
SCHEMBL6816272 0.82 EPHX2 (0.67) EPHX2NR1H4LMNAMEN1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501991-B2 P53 activating compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2013-08-06 US disclosed
EP-2099445-B1 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIV DUNDEE (GB) 2010-11-17 EP disclosed
EP-2099445-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS University Court of The University of Dundee (GB) 2009-09-16 EP disclosed
WO-2008029096-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2008-03-13 WO disclosed