SCHEMBL8875982

SCHEMBL8875982

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1OCCOc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
RECQL P46063 2/20 0.55
POLB P06746 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
ATM Q13315 1/20 0.52
CTSV O60911 3/20 0.52
CTSL P07711 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 1/20 0.51
AR P10275 1/20 0.49
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL29502844 0.94 POLB (0.58) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL5421861 0.94 POLB (0.58) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL8947705 0.92 KMT2A (0.49) RAB9ANPC1RECQLPOLBKMT2A
SCHEMBL12530118 0.89 ALDH1A1 (0.54) RAB9ANPC1RECQLPOLBKMT2A
SCHEMBL3997761 0.87 MEN1 (0.67) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL8947775 0.87 CTSV (0.46) RAB9ANPC1RECQLPOLBKMT2A
SCHEMBL7402862 0.87 POLB (0.52) RAB9ANPC1RECQLPOLBKMT2A
SCHEMBL27481728 0.86 PKM (0.57) RAB9ANPC1RECQLPOLBKMT2A
SCHEMBL30832846 0.85 MEN1 (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL1663438 0.85 MEN1 (0.57) RAB9ANPC1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602258-A Azide-containing chelators whose affinity for calcium ion is decreased by illumination THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) 1997-02-11 US disclosed
US-5552555-A Azide-containing chelators whose affinity for calcium ion is decreased by illumination THE REGENTS OF UNIVERSITY OF CALIFORNIA (US) 1996-09-03 US disclosed
US-5501980-A Benzazolylcoumarin-based ion indicators MOLECULAR PROBES, INC. (US) 1996-03-26 US disclosed