SCHEMBL10617841

SCHEMBL10617841

COCOc1cc([N+](=O)[O-])c2nc(C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RELA Q04206 2/20 0.43
ALDH1A1 P00352 4/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.40
S1PR4 O95977 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKBIA P25963 2/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL10698059 0.86 MAPT (0.54) MEN1KMT2ARELAALDH1A1CTSB
SCHEMBL10622390 0.85 RELA (0.52) MEN1KMT2ARELAALDH1A1CTSB
SCHEMBL20838491 0.74 CTSB (0.49) MEN1KMT2ARELAALDH1A1CTSB
SCHEMBL2671539 0.74 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTS1PR4
SCHEMBL30178231 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10698487 0.73 CTSB (0.48) MEN1KMT2ARELAALDH1A1CTSB
SCHEMBL13301370 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL6831160 0.72 MAPT (0.55) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL12120523 0.71 TXNRD1 (0.47) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2474944 0.70 HSP90AA1 (0.56) MEN1KMT2ARELAALDH1A1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178775-B1 FLUORESCENT INDICATOR DYES FOR CALCIUM IONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-11-09 EP disclosed
EP-0177202-B1 CHELATORS WHOSE AFFINITY FOR CALCIUM IS DECREASED BY ILLUMINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-05-25 EP disclosed
US-4689432-A Chelators whose affinity for calcium is decreased by illumination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-08-25 US disclosed
US-4603209-A STILBENE-TYPE FLUOROPHORE, TWO AMINODIACETIC ACID MOIETIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-07-29 US disclosed
EP-0178775-A2 Fluorescent indicator dyes for calcium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-04-23 EP disclosed
EP-0177202-A1 Chelators whose affinity for calcium is decreased by illumination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-04-09 EP disclosed