SCHEMBL21394905

SCHEMBL21394905

CN1N=C(C(=O)Nc2ncc(Cc3cccc(F)c3)o2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
RIPK1 Q13546 1/20 0.42
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 2/20 0.37
LMNA P02545 1/20 0.36
BRD4 O60885 1/20 0.36
NR3C2 P08235 1/20 0.36
MAPT P10636 2/20 0.35
FSCN1 Q16658 1/20 0.35
ADCY1 Q08828 2/20 0.35
IDH1 O75874 1/20 0.35
ADCY8 P40145 1/20 0.35
SCD O00767 3/20 0.35
SCD5 Q86SK9 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21394882 0.81 SCD (0.52) RAB9ATP53LMNAMAPTSCD
SCHEMBL22479676 0.81 RAB9A (0.43) RAB9APOLBTP53THRBLMNA
SCHEMBL29353798 0.81 SCD (0.52) RAB9ATP53LMNAMAPTSCD
SCHEMBL21394908 0.81 RAB9A (0.52) RAB9AMAPTFSCN1SCDSCD5
SCHEMBL29358581 0.81 RAB9A (0.44) RAB9APOLBNR3C2MAPTFSCN1
SCHEMBL21394559 0.81 RAB9A (0.44) RAB9APOLBNR3C2MAPTFSCN1
SCHEMBL29357533 0.81 RAB9A (0.55) RAB9ATP53LMNAMAPTFSCN1
SCHEMBL21394922 0.81 RAB9A (0.55) RAB9ATP53LMNAMAPTFSCN1
SCHEMBL21394591 0.80 RAB9A (0.45) RAB9APOLBTP53THRBBRD4
SCHEMBL29356718 0.80 RAB9A (0.45) RAB9APOLBTP53THRBBRD4

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