SCHEMBL21394766

SCHEMBL21394766

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1ccc(=O)n(C2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DPP9 Q86TI2 1/20 0.37
F10 P00742 2/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
KCNH2 Q12809 1/20 0.37
PDE9A O76083 2/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RET P07949 1/20 0.36

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
SCHEMBL21384487 0.90 ABCC8 (0.43) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL29353780 0.90 ABCC8 (0.43) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21394975 0.88 KCNJ6 (0.42) NPC1RAB9ATSHRSMN1; SMN2F10
SCHEMBL29356900 0.88 KCNJ6 (0.42) NPC1RAB9ATSHRSMN1; SMN2F10
SCHEMBL29353830 0.87 NPC1 (0.37) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21394620 0.87 NPC1 (0.37) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21394503 0.86 ABCC8 (0.42) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL29354586 0.84 L3MBTL1 (0.47) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21394760 0.84 L3MBTL1 (0.47) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL21394481 0.83 RAB9A (0.46) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2

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