SCHEMBL12596121

SCHEMBL12596121

Bc1ccc(NC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
BRD9 Q9H8M2 1/20 0.39
METAP1 P53582 1/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.38
CNR2 P34972 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37

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
SCHEMBL19002107 0.83 MEN1 (0.43) RXFP1MEN1KMT2ANPC1GAA
SCHEMBL367901 0.83 IDO1 (0.54) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29662262 0.83 IDO1 (0.54) MEN1KMT2ANPC1GAARAB9A
SCHEMBL12199919 0.83 NQO2 (0.44) RXFP1MEN1KMT2ANPC1GAA
SCHEMBL593484 0.82 RXFP1 (0.62) RXFP1MEN1KMT2ANPC1GAA
SCHEMBL4689617 0.82 AAK1 (0.44) RXFP1MEN1KMT2ANPC1GAA
SCHEMBL2396852 0.81 ALDH1A1 (0.63) MEN1KMT2ANPC1GAARAB9A
SCHEMBL10062584 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL2952822 0.81 MEN1 (0.42) RXFP1MEN1KMT2ANPC1GAA
SCHEMBL628821 0.81 MEN1 (0.45) RXFP1MEN1KMT2ANPC1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 WO disclosed