SCHEMBL9513799

SCHEMBL9513799

Cc1cc(Cl)nc(Nc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CASP7 P55210 1/20 0.48
EPAS1 Q99814 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
EGFR P00533 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL9513771 0.84 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL9505015 0.81 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL6180492 0.80 TSHR (0.57) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL9738495 0.78 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL27875724 0.78 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL9878202 0.78 ALDH1A1 (0.54) MAPTALDH1A1CYP2C19KMT2AMEN1
SCHEMBL10429468 0.76 MAPT (0.56) MAPTALDH1A1CYP2C19MAPK1TDP1
SCHEMBL6178841 0.73 MAPK1 (0.51) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL15741366 0.72 TDP1 (0.46) MAPTALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL30062975 0.72 TDP1 (0.46) MAPTALDH1A1CYP1A2CYP2C19MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264348-B1 Ureas CIBA GEIGY AG (CH) 1993-12-15 EP 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
EP-0264348-A2 Ureas CIBA-GEIGY AG (CH) 1988-04-20 EP disclosed