SCHEMBL21394741

SCHEMBL21394741

Cn1nc(C(=O)Nc2ccc(COc3ccc(Cl)cc3)cn2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 2/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL21395194 0.92 L3MBTL1 (0.45) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL21394399 0.92 KMT2A (0.47) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL21395033 0.89 L3MBTL1 (0.45) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL22479581 0.89 MEN1 (0.50) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL21394735 0.87 L3MBTL1 (0.43) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL21394744 0.87 L3MBTL1 (0.44) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL21394598 0.87 L3MBTL1 (0.56) L3MBTL1NPC1SMN1; SMN2TSHRMEN1
SCHEMBL21395027 0.87 L3MBTL1 (0.44) L3MBTL1TSHRMEN1KMT2AKDM4E
SCHEMBL21394841 0.85 MEN1 (0.48) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL29357318 0.85 MEN1 (0.48) L3MBTL1TSHRMEN1KMT2AALDH1A1

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