SCHEMBL21394633

SCHEMBL21394633

Cn1nc(C(=O)Nc2ccc(Cc3cc(C(F)(F)F)ccn3)cn2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
GLS O94925 11/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL29358393 0.86 TSHR (0.53) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL21394637 0.86 TSHR (0.53) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL21394627 0.83 GLS (0.44) GLSHIF1AEPAS1
SCHEMBL21394572 0.79 TSHR (0.44) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL29357109 0.79 TSHR (0.44) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL21394598 0.79 L3MBTL1 (0.56) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL21394634 0.79 TSHR (0.43) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL29355468 0.79 L3MBTL1 (0.46) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL21394578 0.79 L3MBTL1 (0.46) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL21384513 0.78 RAB9A (0.42) GLSHIF1AEPAS1

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