SCHEMBL7981043

SCHEMBL7981043

O=C(Nc1ccc(F)cc1F)c1cnc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 3/20 0.51
POLB P06746 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PLA2G7 Q13093 1/20 0.47
PKM P14618 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46

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
SCHEMBL7979756 0.87 TP53 (0.51) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29235235 0.86 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL28124325 0.83 GRM4 (0.53) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL23942951 0.82 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL29235233 0.82 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL31353051 0.78 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL9986321 0.77 GAA (0.50) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29235298 0.76 NPC1 (0.56) NPC1RAB9ATP53SMN1; SMN2POLB
SCHEMBL31353084 0.76 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29235259 0.76 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2MAPT

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed