SCHEMBL9119558

SCHEMBL9119558

CCOC(=O)Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 7/20 0.57
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2069778 0.89 MAPT (0.69) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11086324 0.86 KMT2A (0.76) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL1815770 0.86 PKM (0.65) POLBKMT2AMEN1ALDH1A1PDK1
SCHEMBL9123407 0.84 ALDH1A1 (0.64) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL11811441 0.84 POLB (0.63) POLBKMT2AMEN1ALDH1A1PDK1
SCHEMBL2070549 0.83 MAPT (0.70) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11810837 0.83 POLB (0.61) POLBKMT2AMEN1ALDH1A1PDK1
SCHEMBL10489728 0.83 SMN1; SMN2 (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2070357 0.82 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11159531 0.82 MAPT (0.62) KMT2AALDH1A1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496595-B1 Aniline derivatives and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1995-09-06 EP disclosed
US-5416236-A Sulfonylation, reduction and carbamylation in multistage process NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-16 US disclosed
EP-0496595-A1 Aniline derivatives and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1992-07-29 EP disclosed