SCHEMBL21394933

SCHEMBL21394933

COc1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)nn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.64
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ABL1 P00519 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL21394672 0.80 ABCC8 (0.56) SCDLMNAMAPTKDM4EMEN1
SCHEMBL29356956 0.78 ABCC8 (0.62) SCDLMNAMAPTKDM4EMEN1
SCHEMBL21394533 0.78 ABCC8 (0.62) SCDLMNAMAPTKDM4EMEN1
SCHEMBL21394527 0.76 ABCC8 (0.61) SCDLMNAMAPTKDM4EMEN1
SCHEMBL16085603 0.75 SCD (0.51) SCDLMNAMAPTKDM4EMEN1
SCHEMBL24954194 0.74 MAPT (0.62) SCDLMNAMAPTKDM4EMEN1
SCHEMBL21394526 0.74 SCD (0.60) SCDLMNAMAPTKDM4EMEN1
SCHEMBL24952879 0.73 SCD (0.53) SCDLMNAMAPTKDM4EMEN1
SCHEMBL24953662 0.73 SCD (0.51) SCDLMNAMAPTKDM4EMEN1
SCHEMBL21394972 0.73 SCD (0.53) SCDLMNAMAPTKDM4EMEN1

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