SCHEMBL22479679

SCHEMBL22479679

Cc1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
PKM P14618 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
FPR1 P21462 2/20 0.41
FPR2 P25090 1/20 0.41
SNCA P37840 1/20 0.40
TP53 P04637 3/20 0.39
AHR P35869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 3/20 0.39
WNT3A P56704 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 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
SCHEMBL21395129 0.91 GRM5 (0.40) NPC1RAB9ASMN1; SMN2TSHRAHR
SCHEMBL21394940 0.90 SNCA (0.42) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL21394639 0.90 FPR1 (0.42) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL21395130 0.88 NPC1 (0.40) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL29357078 0.88 KMT2A (0.41) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL21394475 0.88 KMT2A (0.41) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL21394711 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL29358350 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL21394641 0.86 TSHR (0.47) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL29356991 0.86 TSHR (0.47) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed