SCHEMBL9818604

SCHEMBL9818604

NC(=O)N(c1ncccn1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.42
PDE10A Q9Y233 1/20 0.41
PLAU P00749 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
F12 P00748 1/20 0.40
CTSD P07339 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MET P08581 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39

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
SCHEMBL29006882 0.85 PLAU (0.46) PLAUALDH1A1CTSDMEN1KMT2A
SCHEMBL27311079 0.81 PLAU (0.42) PLAUALDH1A1CTSDMEN1KMT2A
SCHEMBL28424914 0.79 HSD17B10 (0.51) NPC1RAB9APLAUSMN1; SMN2ALDH1A1
SCHEMBL6606178 0.78 PDE10A (0.46) NPC1RAB9ATP53PDE10ASMN1; SMN2
SCHEMBL7261915 0.78 PLAU (0.45) PLAUALDH1A1CTSDMEN1KMT2A
SCHEMBL10458605 0.77 KMT2A (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL8669115 0.76 PLAU (0.46) NPC1RAB9APLAUALDH1A1CTSD
SCHEMBL6792417 0.75 PLAU (0.38) PLAUALDH1A1CTSDMEN1KMT2A
SCHEMBL27479698 0.74 MEN1 (0.39) NPC1RAB9APLAUSMN1; SMN2ALDH1A1
SCHEMBL27579567 0.74 PLAU (0.45) PLAUALDH1A1CTSDPOLBMEN1

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-4999046-A Herbicides and plant growth regulators, agricultural use CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
US-4999046-A Herbicides and plant growth regulators, agricultural use CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
US-4999046-A Herbicides and plant growth regulators, agricultural use CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
US-4904778-A Pyrimidine-2-phenylamino derivatives CIBA-GEIGY CORP. (US) 1990-02-27 US disclosed
US-4802909-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed