SCHEMBL21394962

SCHEMBL21394962

CN1N=C(C(=O)Nc2nc(Cc3cccc(F)c3)ns2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 3/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.40
HTT P42858 3/20 0.39
HTR6 P50406 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
NLRP3 Q96P20 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
DGAT1 O75907 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
SCHEMBL21394934 0.83 KDM4E (0.47) RAB9AMAPTALDH1A1KDM4EHTT
SCHEMBL29356723 0.83 ALDH1A1 (0.47) RAB9AMAPTALDH1A1KDM4EHTT
SCHEMBL21394836 0.83 ALDH1A1 (0.47) RAB9AMAPTALDH1A1KDM4EHTT
SCHEMBL21395006 0.82 MEN1 (0.52) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL21394887 0.82 MAPT (0.47) RAB9AMAPTALDH1A1KDM4EHTT
SCHEMBL29353798 0.81 SCD (0.52) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL21394882 0.81 SCD (0.52) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL21394922 0.81 RAB9A (0.55) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL29357533 0.81 RAB9A (0.55) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL21395166 0.79 RAB9A (0.44) RAB9AMAPTALDH1A1KDM4EHTT

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