SCHEMBL21394954

SCHEMBL21394954

CN1N=C(C(=O)NCl)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
RECQL P46063 2/20 0.34
PKM P14618 2/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
STAT3 P40763 1/20 0.31

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
SCHEMBL21395281 0.82 RAB9A (0.52) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL21395265 0.79 RAB9A (0.50) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL21395117 0.79 RAB9A (0.50) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL12646078 0.77 RAB9A (0.47) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL2285778 0.77 RAB9A (0.47) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL29442778 0.76 RAB9A (0.47) RAB9AALDH1A1MAPTGFERSMN1; SMN2
Medazomide SCHEMBL1817436 0.76 RAB9A (0.46) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL10045649 0.73 RAB9A (0.43) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL21394830 0.73 RAB9A (0.53) RAB9AALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL29359383 0.73 RAB9A (0.53) RAB9AALDH1A1MAPTGFERSMN1; 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