SCHEMBL21395093

SCHEMBL21395093

Cn1nccc(NC(=O)c2ccc(Cc3cccc(Cl)c3)cn2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAPT P10636 4/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
SNCA P37840 1/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
FSCN1 Q16658 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL29442848 0.89 SNCA (0.45) SNCAFSCN1HDAC3HDAC1HDAC2
SCHEMBL21394730 0.89 SNCA (0.45) SNCAFSCN1HDAC3HDAC1HDAC2
SCHEMBL21384407 0.78 L3MBTL1 (0.43) LMNAMAPTSNCAHIF1AKMT2A
SCHEMBL29357022 0.78 ALDH1A1 (0.44) LMNAMAPTFLT1KDRSNCA
SCHEMBL29356947 0.78 L3MBTL1 (0.43) LMNAMAPTSNCAHIF1AKMT2A
SCHEMBL21394811 0.78 ALDH1A1 (0.44) LMNAMAPTFLT1KDRSNCA
SCHEMBL29354586 0.76 L3MBTL1 (0.47) LMNAMAPTSNCAKMT2AMEN1
SCHEMBL21394760 0.76 L3MBTL1 (0.47) LMNAMAPTSNCAKMT2AMEN1
SCHEMBL21384473 0.75 LMNA (0.41) LMNAMAPTSNCAHIF1AKMT2A
SCHEMBL29358562 0.75 LMNA (0.41) LMNAMAPTSNCAHIF1AKMT2A

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