SCHEMBL22820170

SCHEMBL22820170

O=C(Nc1ccccc1)c1cccc(Br)c1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 2/20 0.56
METAP2 P50579 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.54
LCLAT1 Q6UWP7 1/20 0.54
HSPD1 P10809 1/20 0.53
HSPE1 P61604 1/20 0.53

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
SCHEMBL146413 0.89 LMNA (0.61) KMT2AMEN1NPC1RAB9AUSP2
SCHEMBL22820171 0.88 KMT2A (0.60) KMT2AMEN1NPC1RAB9AUSP2
SCHEMBL882734 0.84 KMT2A (0.80) KMT2AMEN1NPC1RAB9AUSP2
SCHEMBL22819966 0.83 ALDH1A1 (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL30739691 0.83 KMT2A (0.68) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL22819939 0.81 LMNA (0.70) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8052698 0.81 KMT2A (0.69) KMT2AMEN1NPC1RAB9AUSP2
SCHEMBL29599784 0.80 HDAC8 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL28709174 0.80 HDAC8 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL15392837 0.80 ABL1 (0.63) KMT2AMEN1NPC1RAB9AMAPT

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
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed