SCHEMBL21395033

SCHEMBL21395033

Cn1nc(C(=O)Nc2ccc(COc3ccc(F)c(F)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NTRK1 P04629 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
GRM5 P41594 1/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL21394735 0.93 L3MBTL1 (0.43) L3MBTL1NPC1RAB9AMAOAMAOB
SCHEMBL21395194 0.89 L3MBTL1 (0.45) L3MBTL1NPC1MAOBMEN1KMT2A
SCHEMBL21394741 0.89 L3MBTL1 (0.55) L3MBTL1NPC1RAB9AMAOAMAOB
SCHEMBL21395027 0.88 L3MBTL1 (0.44) L3MBTL1RAB9AMEN1KMT2ATSHR
SCHEMBL22479581 0.86 MEN1 (0.50) L3MBTL1NPC1RAB9AMAOAMAOB
SCHEMBL29355468 0.86 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL21394578 0.86 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL21394399 0.85 KMT2A (0.47) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL21394841 0.81 MEN1 (0.48) L3MBTL1MAOAMAOBMEN1KMT2A
SCHEMBL29357318 0.81 MEN1 (0.48) L3MBTL1MAOAMAOBMEN1KMT2A

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed