SCHEMBL21394491

SCHEMBL21394491

CN1N=C(C(=O)Nc2cnc(Cc3cccc(F)c3)s2)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
ITK Q08881 1/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
FFAR1 O14842 1/20 0.37
DGAT1 O75907 1/20 0.37
KMT2A Q03164 5/20 0.37
ATM Q13315 1/20 0.35
SCD O00767 2/20 0.35
MEN1 O00255 2/20 0.35
FSCN1 Q16658 1/20 0.35
IDH1 O75874 1/20 0.35
GPR52 Q9Y2T5 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
SCHEMBL21395166 0.85 RAB9A (0.44) RAB9AALDH1A1MAPTFFAR1KMT2A
SCHEMBL21395006 0.84 MEN1 (0.52) RAB9AALDH1A1MAPTFFAR1DGAT1
SCHEMBL21394882 0.83 SCD (0.52) RAB9AITKALDH1A1MAPTKMT2A
SCHEMBL29353798 0.83 SCD (0.52) RAB9AITKALDH1A1MAPTKMT2A
SCHEMBL21394908 0.83 RAB9A (0.52) RAB9AALDH1A1MAPTKMT2ASCD
SCHEMBL21394559 0.81 RAB9A (0.44) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL29358581 0.81 RAB9A (0.44) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL21394922 0.81 RAB9A (0.55) RAB9AALDH1A1MAPTFFAR1KMT2A
SCHEMBL29357533 0.81 RAB9A (0.55) RAB9AALDH1A1MAPTFFAR1KMT2A
SCHEMBL21394905 0.80 RAB9A (0.43) RAB9AALDH1A1MAPTSCDFSCN1

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