SCHEMBL21394721

SCHEMBL21394721

N#Cc1cnc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SNCA P37840 1/20 0.41
EP300 Q09472 2/20 0.41
CHEK1 O14757 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.40
NR3C2 P08235 1/20 0.40

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
SCHEMBL21394724 0.89 NPC1 (0.48) NPC1RAB9AALDH1A1PKMTSHR
SCHEMBL21384381 0.88 SIRT2 (0.50) SIRT2NPC1RAB9AALDH1A1PKM
SCHEMBL29442822 0.88 SIRT2 (0.50) SIRT2NPC1RAB9AALDH1A1PKM
SCHEMBL21395214 0.87 DEGS1 (0.53) SIRT2NPC1RAB9AALDH1A1PKM
SCHEMBL21395010 0.87 TMPRSS4 (0.44) SIRT2NPC1RAB9AMEN1KMT2A
SCHEMBL21394999 0.87 NPC1 (0.46) NPC1RAB9AALDH1A1PKMTSHR
SCHEMBL21394937 0.87 SIRT2 (0.42) SIRT2NPC1RAB9AALDH1A1PKM
SCHEMBL21394847 0.86 NPC1 (0.50) NPC1RAB9AALDH1A1PKMTSHR
SCHEMBL21395183 0.86 NPC1 (0.47) NPC1RAB9AALDH1A1PKMTSHR
SCHEMBL29355531 0.86 NPC1 (0.50) NPC1RAB9AALDH1A1PKMTSHR

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