SCHEMBL9505015

SCHEMBL9505015

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM2 P08172 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CASP7 P55210 1/20 0.43
MEN1 O00255 2/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9513799 0.81 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL9513771 0.79 ALDH1A1 (0.52) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL9818646 0.75 POLB (0.46) MAPTALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL10429468 0.71 MAPT (0.56) MAPTALDH1A1CYP2C19KMT2AMAPK1
SCHEMBL6180492 0.69 TSHR (0.57) MAPTALDH1A1KMT2ALMNAMAPK1
SCHEMBL9818596 0.69 MEN1 (0.36) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL6178841 0.69 MAPK1 (0.51) MAPTALDH1A1KMT2AMAPK1TDP1
SCHEMBL9738114 0.69 TAS2R14 (0.59) MAPTALDH1A1CHRM2DRD2DRD3
SCHEMBL19053519 0.68 CFTR (0.54) MAPTALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL19053230 0.68 CFTR (0.50) MAPTALDH1A1KMT2ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337946-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP disclosed
US-4999046-A Herbicides and plant growth regulators, agricultural use CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed