SCHEMBL5291860

SCHEMBL5291860

Cc1nn(-c2nc3ccccc3[nH]2)c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
PAX8 Q06710 2/20 1.00
HSP90AA1 P07900 1/20 1.00
PKM P14618 1/20 1.00
KDM4E B2RXH2 6/20 0.61
MAPT P10636 3/20 0.54
HPGD P15428 3/20 0.54
GLA P06280 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
CCR6 P51684 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP8 Q96LD8 1/20 0.54

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
SCHEMBL15246728 0.74 MEN1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL21295 0.71 KMT2A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29668346 0.71 KMT2A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14917566 0.71 RAB9A (0.76) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2252028 0.70 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14041423 0.70 MAPT (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL27869264 0.70 KDM4E (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL15246706 0.69 ALKBH3 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL16387688 0.69 MAPT (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5916780 0.69 KDM4E (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 WO claimed
WO-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 WO disclosed