SCHEMBL21395027

SCHEMBL21395027

Cn1nc(C(=O)Nc2ccc(COc3cc(F)cc(F)c3)cn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GRM5 P41594 4/20 0.44
TSHR P16473 1/20 0.42
GCK P35557 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NTRK1 P04629 1/20 0.39
ALOX5 P09917 2/20 0.38

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 0.91 L3MBTL1 (0.45) L3MBTL1GRM5TSHRTDP1MEN1
SCHEMBL21395033 0.88 L3MBTL1 (0.45) L3MBTL1GRM5TSHRTDP1MEN1
SCHEMBL21394572 0.87 TSHR (0.44) L3MBTL1GRM5TSHRTDP1MEN1
SCHEMBL29357109 0.87 TSHR (0.44) L3MBTL1GRM5TSHRTDP1MEN1
SCHEMBL21394399 0.87 KMT2A (0.47) L3MBTL1TSHRGCKTDP1MEN1
SCHEMBL21394741 0.87 L3MBTL1 (0.55) L3MBTL1TSHRTDP1MEN1KMT2A
SCHEMBL21394735 0.87 L3MBTL1 (0.43) L3MBTL1GRM5TSHRTDP1MEN1
SCHEMBL21395157 0.85 CYP3A4 (0.47) L3MBTL1GRM5TSHRGCKCYP1A2
SCHEMBL22479581 0.84 MEN1 (0.50) L3MBTL1TSHRGCKTDP1MEN1
SCHEMBL21395158 0.82 L3MBTL1 (0.42) L3MBTL1GRM5TSHRTDP1MEN1

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