SCHEMBL21395166

SCHEMBL21395166

CN1N=C(C(=O)Nc2ccc(Cc3cccc(F)c3)s2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.38
SCD O00767 3/20 0.38
FSCN1 Q16658 1/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
CES2 O00748 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 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
SCHEMBL29353798 0.85 SCD (0.52) RAB9AMAPTALDH1A1KMT2ASCD
SCHEMBL21394882 0.85 SCD (0.52) RAB9AMAPTALDH1A1KMT2ASCD
SCHEMBL21394491 0.85 RAB9A (0.43) RAB9AMAPTALDH1A1KMT2ASCD
SCHEMBL21394922 0.82 RAB9A (0.55) RAB9AMAPTALDH1A1KMT2ASCD
SCHEMBL29357533 0.82 RAB9A (0.55) RAB9AMAPTALDH1A1KMT2ASCD
SCHEMBL21395006 0.82 MEN1 (0.52) RAB9AMAPTALDH1A1KMT2AFFAR1
SCHEMBL29356723 0.80 ALDH1A1 (0.47) RAB9AMAPTALDH1A1KMT2AKDM4E
SCHEMBL21394836 0.80 ALDH1A1 (0.47) RAB9AMAPTALDH1A1KMT2AKDM4E
SCHEMBL21394887 0.80 MAPT (0.47) RAB9AMAPTALDH1A1KMT2ASCD
SCHEMBL21394591 0.80 RAB9A (0.45) RAB9AMAPTALDH1A1KMT2AFSCN1

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