SCHEMBL31270897

SCHEMBL31270897

CC(C)(C)OC(=O)c1cc(NC(=O)Nc2ccc(C#N)cc2)cc(NC(=O)Nc2ccc(C3=NCCN3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.48
PPARG P37231 1/20 0.46
ACHE P22303 1/20 0.46
RUVBL1 Q9Y265 1/20 0.45
UBE2N P61088 3/20 0.43
LMNA P02545 2/20 0.43
PAX8 Q06710 1/20 0.43
KMT2A Q03164 5/20 0.42
POLB P06746 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
BLM P54132 2/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
IL18 Q14116 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL31270776 0.93 NISCH (0.55) NISCHPPARGACHERUVBL1UBE2N
SCHEMBL31270626 0.85 MAPT (0.54) LMNAKMT2APOLBKDM4EALDH1A1
SCHEMBL31270741 0.85 NISCH (0.52) NISCHPPARGACHERUVBL1UBE2N
SCHEMBL31270936 0.80 PPARG (0.47) NISCHPPARGACHEUBE2NLMNA
SCHEMBL31270763 0.77 NISCH (0.60) NISCHPPARGACHERUVBL1UBE2N
SCHEMBL31245424 0.75 ACHE (0.56) NISCHPPARGACHEUBE2NLMNA
SCHEMBL29175165 0.75 ACHE (0.81) NISCHPPARGACHEUBE2NLMNA
SCHEMBL13132676 0.74 GABRA1 (0.42) LMNAKMT2APOLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1142840 0.74 ACHE (0.79) NISCHPPARGACHEUBE2NLMNA
SCHEMBL31270689 0.73 PPARG (0.56) NISCHPPARGACHERUVBL1UBE2N

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
WO-2024220676-A1 MRNA DEGRADERS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-24 WO disclosed