SCHEMBL23259552

SCHEMBL23259552

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
METAP1 P53582 1/20 0.46
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
PLAU P00749 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PRMT1 Q99873 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL30914161 1.00 RXFP1 (0.52) RXFP1POLBLMNAMETAP1IDO1
SCHEMBL7540602 0.88 KDM4E (0.55) RXFP1POLBLMNAKDM4EALDH1A1
SCHEMBL29702265 0.83 RXFP1 (0.55) RXFP1POLBLMNAKDM4EBRD9
SCHEMBL29663621 0.83 RXFP1 (0.55) RXFP1POLBLMNAIDO1KDM4E
SCHEMBL222446 0.83 RXFP1 (0.55) RXFP1POLBLMNAKDM4EBRD9
SCHEMBL15368377 0.83 RXFP1 (0.59) RXFP1POLBLMNAMETAP1IDO1
SCHEMBL29992092 0.83 RXFP1 (0.59) RXFP1POLBLMNAMETAP1IDO1
SCHEMBL30914162 0.82 RXFP1 (0.50) RXFP1POLBLMNAMETAP1IDO1
SCHEMBL23259553 0.82 RXFP1 (0.50) RXFP1POLBLMNAMETAP1IDO1
SCHEMBL30914166 0.82 RXFP1 (0.50) RXFP1POLBLMNAMETAP1IDO1

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-2021077102-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-22 WO disclosed