SCHEMBL20104422

SCHEMBL20104422

O=C(c1ccccc1)c1ccc(F)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 3/20 0.46
P4HTM Q9NXG6 6/20 0.46
MAPK14 Q16539 1/20 0.43
MEN1 O00255 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BDKRB1 P46663 1/20 0.41
LMNA P02545 1/20 0.41
ALPG P10696 1/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
VNN1 O95497 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
SCHEMBL17157398 0.80 HSD17B14 (0.41) P4HTMNPC1P4HA1MIFRXFP1
SCHEMBL12975710 0.80 P4HTM (0.42) KMT2AP4HTMMEN1NPC1SMN1; SMN2
SCHEMBL14982186 0.80 MEN1 (0.55) KMT2AALDH1A1P4HTMMEN1NPC1
SCHEMBL30449388 0.78 P4HTM (0.59) KMT2AALDH1A1P4HTMMEN1SMN1; SMN2
SCHEMBL110129 0.78 P4HTM (0.59) KMT2AALDH1A1P4HTMMEN1SMN1; SMN2
SCHEMBL256768 0.78 ALDH1A1 (0.63) KMT2ACNR2ALDH1A1P4HTMMEN1
SCHEMBL13714933 0.78 KMT2A (0.56) KMT2ACNR2ALDH1A1MEN1NPC1
SCHEMBL28335290 0.78 KMT2A (0.56) KMT2ACNR2ALDH1A1P4HTMMEN1
SCHEMBL20104370 0.78 KMT2A (0.56) KMT2ACNR2ALDH1A1P4HTMMAPK14
SCHEMBL20474681 0.76 NPC1 (0.47) P4HTMNPC1RAB9AHPGDSMN1; SMN2

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