SCHEMBL20104370

SCHEMBL20104370

Nc1ccc(C(=O)c2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
CNR2 P34972 1/20 0.47
PBRM1 Q86U86 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
VNN1 O95497 1/20 0.43
P4HTM Q9NXG6 2/20 0.42
MEN1 O00255 2/20 0.42
MAPK14 Q16539 1/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2445629 0.86 HIF1A (0.54) KMT2ACNR2PBRM1ALDH1A1MAPT
SCHEMBL2038664 0.79 KMT2A (0.57) KMT2ACNR2ALDH1A1MAPTVNN1
SCHEMBL31359466 0.78 P4HTM (0.59) KMT2AALDH1A1MAPTP4HTMMEN1
SCHEMBL249720 0.78 P4HTM (0.59) KMT2AALDH1A1MAPTP4HTMMEN1
SCHEMBL13714933 0.78 KMT2A (0.56) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL28335290 0.78 KMT2A (0.56) KMT2ACNR2ALDH1A1MAPTP4HTM
SCHEMBL20104422 0.78 KMT2A (0.56) KMT2ACNR2ALDH1A1MAPTVNN1
SCHEMBL256768 0.78 ALDH1A1 (0.63) KMT2ACNR2ALDH1A1MAPTP4HTM
Hydrochloric Acid SCHEMBL21485420 0.76 P4HTM (0.57) KMT2AALDH1A1MAPTP4HTMMEN1
SCHEMBL14988399 0.76 LDHA (0.56) KMT2APBRM1ALDH1A1MAPTMEN1

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
WO-2018080065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-05-03 WO disclosed