SCHEMBL8346599

SCHEMBL8346599

O=[N+]([O-])c1cccc(-c2csc(-n3cnc4ccccc43)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.60
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.52
CSNK2A1 P68400 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
VCP P55072 1/20 0.47
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LCK P06239 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
SCHEMBL8341214 0.81 ALDH1A1 (0.54) FGFR1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL8343426 0.80 FGFR1 (0.56) FGFR1ALDH1A1MAPTRAB9ANPC1
SCHEMBL8346644 0.77 FGFR1 (0.60) FGFR1ALDH1A1MAPTRAB9ANPC1
SCHEMBL18674586 0.77 SMN1; SMN2 (0.68) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL8346864 0.76 KMT2A (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2HTT
SCHEMBL2308773 0.76 FGFR1 (1.00) FGFR1ALDH1A1MAPTLMNAHTT
SCHEMBL29449347 0.76 FGFR1 (1.00) FGFR1ALDH1A1MAPTLMNAHTT
SCHEMBL8343140 0.73 TUBB4A (0.53) ALDH1A1MAPTRAB9ANPC1LMNA
SCHEMBL25247614 0.73 CSNK2A1 (0.62) ALDH1A1MAPTRAB9ACSNK2A1MEN1
SCHEMBL426369 0.73 MAPT (0.66) ALDH1A1MAPTRAB9ACSNK2A1MEN1

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-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US claimed
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US disclosed