SCHEMBL21394515

SCHEMBL21394515

Cn1nc(C(=O)Nc2ncc(Cc3cccc(C#N)c3)s2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
RIPK1 Q13546 2/20 0.47
MAPT P10636 7/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 3/20 0.46
ABL1 P00519 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
SCD O00767 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21394804 0.87 LMNA (0.66) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394672 0.86 ABCC8 (0.56) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21395173 0.84 SCD (0.57) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL29358376 0.81 SIRT2 (0.42) RIPK1MAPTKMT2AMEN1RAB9A
SCHEMBL21394629 0.81 SIRT2 (0.42) RIPK1MAPTKMT2AMEN1RAB9A
SCHEMBL21395162 0.80 SCD (0.56) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394871 0.79 RIPK1 (0.49) LMNARIPK1MAPTKMT2AMEN1
SCHEMBL21394533 0.75 ABCC8 (0.62) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL29356956 0.75 ABCC8 (0.62) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL21394527 0.74 ABCC8 (0.61) LMNAMAPTKMT2AMEN1RAB9A

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