SCHEMBL7715871

SCHEMBL7715871

Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
HTT P42858 1/20 0.73
USP2 O75604 1/20 0.62
TSHR P16473 1/20 0.62
RAB9A P51151 13/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 10/20 0.58
SMN1; SMN2 Q16637 8/20 0.58
TP53 P04637 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
PKM P14618 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
PTPN2 P17706 1/20 0.55

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
SCHEMBL22983097 0.81 PKM (0.66) MEN1KMT2ATSHRRAB9AALDH1A1
SCHEMBL7718040 0.80 KMT2A (0.67) NPSR1MEN1KMT2AHTTUSP2
SCHEMBL26416635 0.79 MAPT (0.62) NPSR1MEN1KMT2AHTTRAB9A
SCHEMBL7162313 0.78 MEN1 (0.86) NPSR1MEN1KMT2AHTTUSP2
SCHEMBL3531261 0.78 MAPT (0.70) NPSR1MEN1KMT2AHTTRAB9A
SCHEMBL7716934 0.76 RAB9A (0.81) MEN1KMT2AHTTTSHRRAB9A
SCHEMBL7717504 0.76 RAB9A (0.58) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL26416639 0.76 AR (0.54) NPSR1MEN1KMT2AHTTTSHR
SCHEMBL2979818 0.75 AR (0.59) NPSR1MEN1KMT2AHTTRAB9A
SCHEMBL7716927 0.75 PTPN2 (0.75) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed