SCHEMBL21394639

SCHEMBL21394639

Cn1nc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cc(Br)c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.42
FPR2 P25090 1/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
SNCA P37840 1/20 0.40
AHR P35869 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MMP13 P45452 1/20 0.38
SCD O00767 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NR3C2 P08235 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
SCHEMBL22479679 0.90 NPC1 (0.42) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL21394940 0.89 SNCA (0.42) FPR1FPR2NPC1RAB9ASMN1; SMN2
SCHEMBL21394475 0.87 KMT2A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL29357078 0.87 KMT2A (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL29358350 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394711 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL29356991 0.85 TSHR (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394641 0.85 TSHR (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21395039 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394647 0.82 AHR (0.46) FPR1FPR2NPC1RAB9ASMN1; SMN2

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