SCHEMBL21395161

SCHEMBL21395161

Cn1nc(C(=O)Nc2nnc(Cc3cc(F)cc(Cl)c3)s2)ccc1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
DGAT1 O75907 1/20 0.43
POLB P06746 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL21395167 0.87 LMNA (0.60) LMNAHTTALDH1A1MAPTDGAT1
SCHEMBL22479682 0.86 LMNA (0.59) LMNAL3MBTL1HTTALDH1A1MAPT
SCHEMBL22479444 0.80 L3MBTL1 (0.46) LMNAL3MBTL1HTTALDH1A1MAPT
SCHEMBL29357041 0.78 L3MBTL1 (0.46) LMNAL3MBTL1HTTALDH1A1MAPT
SCHEMBL21394626 0.78 L3MBTL1 (0.46) LMNAL3MBTL1HTTALDH1A1MAPT
SCHEMBL21395094 0.72 MAPT (0.49) LMNAL3MBTL1HTTALDH1A1MAPT
SCHEMBL24846603 0.71 SMN1; SMN2 (0.39) L3MBTL1DGAT1POLBNPC1RAB9A
SCHEMBL21394672 0.71 ABCC8 (0.56) LMNAHTTALDH1A1MAPTNPC1
SCHEMBL24846067 0.71 SMN1; SMN2 (0.39) L3MBTL1DGAT1POLBNPC1RAB9A
SCHEMBL21394572 0.71 TSHR (0.44) LMNAL3MBTL1HTTALDH1A1MAPT

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