SCHEMBL7585802

SCHEMBL7585802

COc1cccc2cc(C(=N)N(O)c3cccc(Cl)c3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BMP1 P13497 1/20 0.40

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
SCHEMBL7586241 0.82 HTR3E (0.40) KMT2AALDH1A1RAB9ANPC1MEN1
SCHEMBL7582051 0.79 GPR35 (0.41) LMNARECQLKMT2AALDH1A1SMN1; SMN2
SCHEMBL7591071 0.78 MAOB (0.47) RAB9ANPC1KDM4ECA2
SCHEMBL6777820 0.77 KEAP1 (0.40) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL6086196 0.76 KCNQ2 (0.42) LMNAKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL7585739 0.75 ADORA3 (0.49) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL6086523 0.75 HTR3E (0.42) KMT2AALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL7701242 0.73 ALDH1A1 (0.73) LMNARECQLKMT2AALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7709305 0.72 ALDH1A1 (0.71) LMNARECQLKMT2AALDH1A1RAB9A
SCHEMBL5935550 0.71 HTT (0.53) LMNARECQLKMT2AALDH1A1RAB9A

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
EP-1246795-A2 ANTIBACTERIAL AGENTS Tularik Inc. (US) 2002-10-09 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed