SCHEMBL21394908

SCHEMBL21394908

CN1N=C(C(=O)Nc2ccc(Cc3cccc(F)c3)nc2)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
CES2 O00748 1/20 0.41
ALDH1A1 P00352 3/20 0.40
FSCN1 Q16658 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
HTT P42858 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR2 O43614 1/20 0.38
CXCR1 P25024 3/20 0.38
CXCR2 P25025 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 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
SCHEMBL29357533 0.88 RAB9A (0.55) RAB9ACES2ALDH1A1FSCN1MAPT
SCHEMBL21394922 0.88 RAB9A (0.55) RAB9ACES2ALDH1A1FSCN1MAPT
SCHEMBL22479676 0.85 RAB9A (0.43) RAB9ACES2ALDH1A1FSCN1MAPT
SCHEMBL21394591 0.83 RAB9A (0.45) RAB9ACES2ALDH1A1FSCN1MAPT
SCHEMBL29356718 0.83 RAB9A (0.45) RAB9ACES2ALDH1A1FSCN1MAPT
SCHEMBL21394491 0.83 RAB9A (0.43) RAB9AALDH1A1FSCN1MAPTKDM4E
SCHEMBL29358581 0.83 RAB9A (0.44) RAB9AALDH1A1FSCN1MAPTNPC1
SCHEMBL21394559 0.83 RAB9A (0.44) RAB9AALDH1A1FSCN1MAPTNPC1
SCHEMBL22479448 0.82 SRC (0.40) RAB9AALDH1A1MEN1KMT2A
SCHEMBL21394934 0.81 KDM4E (0.47) RAB9AALDH1A1HTTMAPTKDM4E

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