SCHEMBL1040562

SCHEMBL1040562

O=[N+]([O-])c1ccc(CNCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.69
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 3/20 0.62
POLB P06746 1/20 0.62
PDE5A O76074 2/20 0.56
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.53

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
Hydrochloric Acid SCHEMBL27940296 0.88 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7010631 0.83 MAPT (0.85) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9941840 0.83 MAPT (0.67) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL109279 0.83 ALDH1A1 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15306501 0.80 KMT2A (1.00) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14740400 0.80 MAPT (0.56) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL628651 0.79 CHRM2 (0.72) MEN1KMT2AALDH1A1POLB
SCHEMBL1040563 0.79 ALDH1A1 (0.73) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29003683 0.79 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL647938 0.79 ALDH1A1 (0.70) MEN1KMT2AALDH1A1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480941-B1 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2011-01-26 EP disclosed
EP-1480941-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2004-12-01 EP disclosed
WO-2003074467-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-09-12 WO disclosed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 US disclosed