SCHEMBL28033115

SCHEMBL28033115

CC(C)(C)OC(=O)Nc1ccccc1C(=O)OBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
IDO1 P14902 1/20 0.43
MAPK1 P28482 2/20 0.43
ATM Q13315 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL29663621 0.89 RXFP1 (0.55) RXFP1POLBLMNAKMT2AKDM4E
SCHEMBL9330701 0.88 KMT2A (0.61) RXFP1POLBLMNAKMT2AKDM4E
SCHEMBL12292165 0.86 RXFP1 (0.53) RXFP1POLBLMNAKMT2AKDM4E
SCHEMBL15368377 0.83 RXFP1 (0.59) RXFP1POLBLMNAKMT2ANPC1
SCHEMBL29702265 0.83 RXFP1 (0.55) RXFP1POLBLMNAKMT2AKDM4E
SCHEMBL29992092 0.83 RXFP1 (0.59) RXFP1POLBLMNAKMT2ANPC1
SCHEMBL222446 0.83 RXFP1 (0.55) RXFP1POLBLMNAKMT2AKDM4E
SCHEMBL28493853 0.82 KDM4E (0.60) LMNAKMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL27969584 0.82 HPGD (0.44) RXFP1POLBKMT2ACYP1A2ALDH1A1
SCHEMBL2880191 0.82 LMNA (0.54) RXFP1POLBLMNAKMT2AALDH1A1

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
CN-104955826-A SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH 2015-09-30 CN disclosed