SCHEMBL21394536

SCHEMBL21394536

Cn1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.56
RXFP1 Q9HBX9 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ABL1 P00519 2/20 0.50
SRC P12931 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL21394531 0.88 MEN1 (0.58) DGAT1RXFP1MEN1KMT2ANPC1
SCHEMBL21394621 0.87 RXFP1 (0.50) RXFP1MEN1KMT2ANPC1RAB9A
SCHEMBL21394794 0.82 DGAT1 (0.54) DGAT1RXFP1MEN1KMT2ANPC1
SCHEMBL29358244 0.79 ALDH1A1 (0.48) RXFP1MEN1KMT2ANPC1ABL1
SCHEMBL21394510 0.79 ALDH1A1 (0.48) RXFP1MEN1KMT2ANPC1ABL1
SCHEMBL21394825 0.77 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29356860 0.77 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3669882 0.75 DGAT1 (0.77) DGAT1RXFP1MEN1KMT2ANPC1
SCHEMBL30397132 0.75 ALDH1A1 (0.53) DGAT1RXFP1MEN1KMT2ANPC1
SCHEMBL30397171 0.74 ALDH1A1 (0.57) DGAT1RXFP1MEN1KMT2ANPC1

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