SCHEMBL3312600

SCHEMBL3312600

C=C/N=N/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 4/20 0.41
TSHR P16473 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPK1 P28482 3/20 0.39
TRPA1 O75762 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL3312603 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL10614068 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL4726579 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL28147224 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3068286 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL3078252 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7190106 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL6562161 0.75 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL11878769 0.75 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1
Azobenzene SCHEMBL6703357 0.75 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPC1

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
US-7718112-B2 Nanometer scale structures UNIVERSITY OF MASSACHUSETTS (US) 2010-05-18 US claimed
US-20070284303-A1 Nanometer scale structures USA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2007-12-13 US claimed
US-7718112-B2 Nanometer scale structures UNIVERSITY OF MASSACHUSETTS (US) 2010-05-18 US disclosed
US-20070284303-A1 Nanometer scale structures USA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2007-12-13 US disclosed