SCHEMBL22874342

SCHEMBL22874342

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
BRD9 Q9H8M2 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
METAP1 P53582 1/20 0.44
ALDH1A1 P00352 3/20 0.43
BRD4 O60885 1/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
ATR Q13535 1/20 0.40
LCK P06239 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
P2RX7 Q99572 1/20 0.40
NPC1 O15118 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
SCHEMBL2880191 0.82 LMNA (0.54) LMNAKMT2ABRD9RXFP1METAP1
SCHEMBL5227380 0.81 SMN1; SMN2 (0.47) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL5229725 0.80 MEN1 (0.45) LMNAKMT2ABRD9RXFP1METAP1
SCHEMBL5228223 0.80 MDM4 (0.62) LMNAKMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL3716281 0.79 P4HTM (0.53) LMNAKMT2AMETAP1ALDH1A1RAB9A
SCHEMBL29768539 0.79 P4HTM (0.53) LMNAKMT2AMETAP1ALDH1A1RAB9A
SCHEMBL2384644 0.78 HDAC1 (0.47) KMT2ARXFP1METAP1BRD4LCK
SCHEMBL2385252 0.78 MEN1 (0.55) LMNAKMT2AMETAP1ALDH1A1RAB9A
SCHEMBL2829176 0.78 POLB (0.56) KMT2ARXFP1ALDH1A1RAB9AL3MBTL1
SCHEMBL23517785 0.78 CYP17A1 (0.41) JUNNFKB1NFKB2RELALMNA

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-2021007313-A1 WNT ACTIVATORS AND METHODS OF USE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-01-14 WO disclosed