SCHEMBL21394966

SCHEMBL21394966

Cn1nc(NC(=O)c2ccc(Cc3ccc(F)c(F)c3)cn2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CACNA1H O95180 11/20 0.40
CACNA1G O43497 8/20 0.40
CACNA1I Q9P0X4 8/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
NTRK1 P04629 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL21394578 0.93 L3MBTL1 (0.46) L3MBTL1CACNA1HTSHRNPC1RAB9A
SCHEMBL29355468 0.93 L3MBTL1 (0.46) L3MBTL1CACNA1HTSHRNPC1RAB9A
SCHEMBL21395191 0.88 CSNK1D (0.43) L3MBTL1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL29353720 0.88 SNCA (0.48) L3MBTL1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21384504 0.88 SNCA (0.48) L3MBTL1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21384407 0.86 L3MBTL1 (0.43) L3MBTL1CACNA1HCACNA1GCACNA1ITSHR
SCHEMBL29356947 0.86 L3MBTL1 (0.43) L3MBTL1CACNA1HCACNA1GCACNA1ITSHR
SCHEMBL29356645 0.85 L3MBTL1 (0.47) L3MBTL1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21394832 0.85 L3MBTL1 (0.47) L3MBTL1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL21394677 0.84 TSHR (0.43) L3MBTL1CACNA1HCACNA1GCACNA1ITSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed