SCHEMBL21395014

SCHEMBL21395014

Cn1nccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.44
FSCN1 Q16658 1/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39
WNT3A P56704 3/20 0.39
KIT P10721 1/20 0.38
BRAF P15056 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
KDR P35968 1/20 0.38
CSF1R P07333 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
SCD O00767 1/20 0.38
MET P08581 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
SCHEMBL21394956 0.91 AHR (0.44) AHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21395013 0.89 NPC1 (0.44) AHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21394647 0.85 AHR (0.46) AHRFSCN1NPC1RAB9AALDH1A1
SCHEMBL29353805 0.85 AHR (0.45) AHRFSCN1NPC1RAB9AALDH1A1
SCHEMBL21394786 0.85 AHR (0.45) AHRFSCN1NPC1RAB9AALDH1A1
SCHEMBL29442848 0.81 SNCA (0.45) FSCN1AKT1SCD
SCHEMBL21394730 0.81 SNCA (0.45) FSCN1AKT1SCD
SCHEMBL22479679 0.80 NPC1 (0.42) AHRNPC1RAB9AALDH1A1PKM
SCHEMBL21394641 0.79 TSHR (0.47) NPC1RAB9AALDH1A1PKMTSHR
SCHEMBL29356991 0.79 TSHR (0.47) 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