SCHEMBL21394906

SCHEMBL21394906

CN1N=C(C(=O)Nc2ncc(Cc3cccnc3)s2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
LMNA P02545 5/20 0.45
TP53 P04637 3/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 2/20 0.45
RIPK1 Q13546 1/20 0.44
ABL1 P00519 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.42

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
SCHEMBL21394669 0.90 RAB9A (0.56) POLBRAB9ANPC1LMNATP53
SCHEMBL29353798 0.85 SCD (0.52) RAB9ANPC1LMNATP53KMT2A
SCHEMBL21394882 0.85 SCD (0.52) RAB9ANPC1LMNATP53KMT2A
SCHEMBL21394864 0.85 LMNA (0.62) RAB9ANPC1LMNATP53KMT2A
SCHEMBL21395177 0.84 MEN1 (0.56) POLBRAB9ANPC1LMNATP53
SCHEMBL21395007 0.84 RAB9A (0.59) POLBRAB9ANPC1LMNATP53
SCHEMBL21394799 0.84 LMNA (0.45) RAB9ANPC1LMNATP53KMT2A
SCHEMBL29357013 0.84 LMNA (0.45) RAB9ANPC1LMNATP53KMT2A
SCHEMBL21394885 0.83 SCD (0.56) RAB9ANPC1LMNATP53KMT2A
SCHEMBL21394797 0.82 SCD (0.49) POLBRAB9ANPC1LMNATP53

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