SCHEMBL21254499

SCHEMBL21254499

O=CNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
MAPT P10636 7/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
MCL1 Q07820 2/20 0.50
USP2 O75604 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 3/20 0.49
MAPK1 P28482 2/20 0.49
ALOX15 P16050 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HTT P42858 1/20 0.49
PKM P14618 2/20 0.48
ATM Q13315 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL21254587 0.93 MCHR1 (0.49) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL8769706 0.91 RAB9A (0.58) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21254630 0.88 RAB9A (0.65) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21254622 0.86 WDR91 (0.43) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21254472 0.86 RAB9A (0.47) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21254752 0.86 WDR91 (0.43) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL27937031 0.86 MAPT (0.42) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1664311 0.85 KMT2A (0.55) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL21254928 0.85 RAB9A (0.55) RAB9ANPC1MAPTKMT2ASMN1; SMN2
SCHEMBL18745976 0.85 KMT2A (0.55) RAB9ANPC1MAPTKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP disclosed