SCHEMBL21394489

SCHEMBL21394489

Cn1nc(C(=O)Nc2cncc(Cc3cccc(Cl)c3)c2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
NTRK1 P04629 2/20 0.41
ATM Q13315 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
SCHEMBL21394917 0.87 TSHR (0.54) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL29353982 0.87 TSHR (0.54) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL21394622 0.84 TSHR (0.51) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL21394760 0.82 L3MBTL1 (0.47) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL29354586 0.82 L3MBTL1 (0.47) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL29353742 0.79 SCD5 (0.58) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL21394983 0.79 SCD5 (0.58) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL29356947 0.78 L3MBTL1 (0.43) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL21384407 0.78 L3MBTL1 (0.43) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL21394804 0.78 LMNA (0.66) MEN1KMT2AL3MBTL1KDM4EHTT

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