SCHEMBL9403354

SCHEMBL9403354

O=[N+]([O-])c1cccnc1Nc1cccc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.42
AR P10275 1/20 0.42
CTSV O60911 4/20 0.42
CTSL P07711 4/20 0.42
BACE1 P56817 1/20 0.42
PPIA P62937 1/20 0.41
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL9403441 0.80 KMT2A (0.42) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6793329 0.80 MEN1 (0.62) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1699164 0.80 NPC1 (0.65) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5322748 0.72 HSP90AA1 (0.59) MEN1KMT2ANPC1RAB9AATM
SCHEMBL3919788 0.70 MAPK1 (0.63) MEN1KMT2ANPC1RAB9AATM
SCHEMBL9403360 0.69 BRD4 (0.58) MEN1KMT2ANPC1RAB9AALOX5
SCHEMBL5579639 0.69 CTSV (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5580003 0.69 CTSV (0.57) MEN1KMT2ANPC1RAB9AATM
Hydrochloric Acid SCHEMBL8808091 0.69 EGFR (0.59) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL30832846 0.69 MEN1 (0.57) MEN1KMT2ANPC1RAB9AATM

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-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 US disclosed