SCHEMBL11488642

SCHEMBL11488642

CCC(Nc1ccc([N+](=O)[O-])cc1)=C(CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KMT2A Q03164 10/20 0.54
MEN1 O00255 9/20 0.54
MAPT P10636 9/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
NAMPT P43490 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.49

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
SCHEMBL4960442 0.81 MAPT (0.55) POLBKMT2AMEN1MAPTLMNA
SCHEMBL11496108 0.79 MAPT (0.51) KMT2AMEN1MAPTSMN1; SMN2HPGD
SCHEMBL1706183 0.78 KMT2A (0.65) POLBKMT2AMEN1MAPTLMNA
SCHEMBL3189929 0.74 KMT2A (0.69) POLBKMT2AMEN1MAPTLMNA
SCHEMBL15347692 0.74 TDP1 (0.53) POLBALDH1A1MAPK1
SCHEMBL15347688 0.74 TDP1 (0.53) POLBALDH1A1MAPK1
SCHEMBL14871553 0.74 KMT2A (0.59) POLBKMT2AMEN1MAPTLMNA
SCHEMBL13093155 0.73 KMT2A (0.80) POLBKMT2AMEN1MAPTLMNA
SCHEMBL152811 0.73 KMT2A (0.74) POLBKMT2AMEN1MAPTLMNA
SCHEMBL5817153 0.73 KMT2A (0.74) POLBKMT2AMEN1MAPTLMNA

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-4188489-A Process for the production of 3-substituted amino-5-pyrazolones FUJI PHOTO FILM CO., LTD. (JP) 1980-02-12 US disclosed