SCHEMBL8949604

SCHEMBL8949604

CN(C)CN(C)CN(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HCAR3 P49019 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
SCHEMBL8946572 0.80 TSHR (0.49) ALDH1A1POLBTSHRLMNAKDM4E
SCHEMBL754128 0.80 ALDH1A1 (0.46) HSD17B10ALDH1A1POLBTDP1TSHR
Hydrochloric Acid SCHEMBL3966111 0.79 ALDH1A1 (0.45) HSD17B10ALDH1A1POLBTDP1TSHR
SCHEMBL30936706 0.75 MAPT (0.59) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL1509290 0.75 HSD17B10 (0.54) HSD17B10ALDH1A1POLBTDP1TSHR
SCHEMBL3054248 0.74 KMT2A (0.50) HSD17B10ALDH1A1TDP1TSHRMEN1
Phosphine SCHEMBL28283987 0.73 HSD17B10 (0.52) HSD17B10ALDH1A1POLBTDP1TSHR
SCHEMBL27651310 0.73 HSD17B10 (0.52) HSD17B10ALDH1A1POLBTDP1TSHR
Ammonia Solution, Strong SCHEMBL28268609 0.73 HSD17B10 (0.52) HSD17B10ALDH1A1POLBTDP1TSHR
SCHEMBL11154622 0.73 ALDH1A1 (0.61) ALDH1A1POLBMEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187340-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2012-05-29 US disclosed