SCHEMBL17787274

SCHEMBL17787274

COc1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1N=Nc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ACHE P22303 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ MPI P34949 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL15433373 0.92 ACHE (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL10079082 0.92 ACHE (0.51) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13758738 0.88 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17787278 0.88 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12133421 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13758735 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7198643 0.85 KMT2A (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13644731 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15433377 0.84 MPI (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14565832 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTLMNA

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-RE46018-E1 Disperse azo dye mixtures DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-05-31 — — US disclosed
Send feedback