SCHEMBL8616062

SCHEMBL8616062

CNc1ccc([N+](=O)[O-])c(NC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 6/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 2/20 0.53
RECQL P46063 2/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 3/20 0.51
HCAR3 P49019 1/20 0.47
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GALR2 O43603 1/20 0.42

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
SCHEMBL10534498 0.85 HTT (0.71) MAPTKMT2AALDH1A1HPGDHTT
SCHEMBL27039902 0.84 ALDH1A1 (0.55) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL7805730 0.83 HTT (0.78) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL978709 0.81 TSHR (0.62) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL11554160 0.81 MAPT (0.56) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL9136568 0.81 ALDH1A1 (0.64) MAPTKMT2AALDH1A1HPGDHTT
SCHEMBL15177817 0.79 MAPT (0.54) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL626410 0.79 MAPT (0.54) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL487351 0.79 MAPK1 (0.58) MAPTKMT2AALDH1A1HPGDCYP1A2
SCHEMBL13548441 0.79 TDP1 (0.58) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714304-A AN ORGANOSILICON CROSSLINKED POLYMER IS THE REACTION PRODUCT OF ATLEAST ONE CYCLIC POLYSILOXANE HAVING ATLEAST TWO HYDROSILATION REACTIVE GROUPS, AN ORGANIC DYE WITH ELECTRON ACCEPTOR AND DONOR GROUPS WITH DOUBLE BOND, AND A POLYENE HERCULES INCORPORATED (US) 1998-02-03 US disclosed
US-5663308-A DYES CONTAINING ELECTRON DONOR/ACEPTOR GROUPS LINKED BY DELOCALIZED PI ELECTRON SYSTEM AND TWO OR MORE PENDANT GROUPS HERCULES INCORPORATED (US) 1997-09-02 US disclosed
US-5605726-A FILMS, SEMICONDUCTORS HERECULES INCORPORATED (US) 1997-02-25 US disclosed
US-5298588-A Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed