SCHEMBL10642004

SCHEMBL10642004

CC1=C(C)C(=O)N(Nc2ccccc2Cl)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 3/20 0.51
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
EPHB3 P54753 2/20 0.37
P2RX7 Q99572 1/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL10636739 0.85 MEN1 (0.40) XPO1NPC1RAB9AMEN1KMT2A
SCHEMBL12704580 0.80 POLB (0.44) XPO1NPC1RAB9AMEN1KMT2A
SCHEMBL1592438 0.80 XPO1 (0.43) XPO1NPC1RAB9AKMT2ALMNA
SCHEMBL30176869 0.80 XPO1 (0.43) XPO1NPC1RAB9AKMT2ALMNA
SCHEMBL28124922 0.77 MGLL (0.47) XPO1NPC1RAB9AMEN1KMT2A
SCHEMBL8133929 0.75 KEAP1 (0.46) XPO1NPC1RAB9AMEN1KMT2A
SCHEMBL10637736 0.74 HPGD (0.43) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL23872049 0.73 CYP1A2 (0.46) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL8134443 0.73 XPO1 (0.55) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL8141682 0.72 CYP1A2 (0.67) XPO1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 WO disclosed