SCHEMBL21394531

SCHEMBL21394531

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
DGAT1 O75907 1/20 0.56
NPC1 O15118 2/20 0.54
RXFP1 Q9HBX9 3/20 0.53
RAB9A P51151 1/20 0.52
ABL1 P00519 2/20 0.50
SRC P12931 2/20 0.50
GLS O94925 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL21394536 0.88 DGAT1 (0.56) MEN1KMT2ADGAT1NPC1RXFP1
SCHEMBL21394794 0.88 DGAT1 (0.54) MEN1KMT2ADGAT1NPC1RXFP1
SCHEMBL21394621 0.85 RXFP1 (0.50) MEN1KMT2ANPC1RXFP1RAB9A
SCHEMBL21394526 0.83 SCD (0.60) MEN1KMT2ANPC1RAB9AABL1
SCHEMBL21395167 0.82 LMNA (0.60) MEN1KMT2ADGAT1NPC1RXFP1
SCHEMBL29353926 0.79 CREBBP (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21394413 0.79 CREBBP (0.55) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29357564 0.79 CREBBP (0.45) MEN1KMT2ANPC1RAB9AABL1
SCHEMBL21394445 0.79 CREBBP (0.45) MEN1KMT2ANPC1RAB9AABL1
SCHEMBL21394601 0.77 NPC1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1

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