SCHEMBL9504996

SCHEMBL9504996

CCc1cc(C(F)(F)F)nc(N(C(N)=O)c2c(C)cccc2[N+](=O)[O-])n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 6/20 0.35
POLB P06746 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9505019 0.85 CYP1A2 (0.35) CYP1A2CYP2C19CYP3A4GAALMNA
SCHEMBL9535470 0.82 SMN1; SMN2 (0.35) CYP1A2CYP2C19LMNAALDH1A1POLB
SCHEMBL9738579 0.80 PRKD3 (0.43)
SCHEMBL10401161 0.78 SMN1; SMN2 (0.37) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL9538333 0.74 TP53 (0.36) CYP1A2CYP2C19GAALMNAALDH1A1
SCHEMBL9536816 0.74 SMN1; SMN2 (0.35) CYP1A2CYP2C19LMNAALDH1A1POLB
SCHEMBL9737747 0.74 PTGES (0.36) GAAMAPTRXRARXRBRXRG
SCHEMBL10400976 0.74 SMN1; SMN2 (0.37) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL10400132 0.73 MAPT (0.41) CYP1A2CYP2C19CYP3A4LMNAALDH1A1
SCHEMBL9739376 0.72 RBP4 (0.39) CYP3A4ALDH1A1HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337946-B1 UREAS CIBA-GEIGY AG (CH) 1993-07-28 EP claimed
US-4999046-A Herbicides and plant growth regulators, agricultural use CIBA-GEIGY CORPORATION (US) 1991-03-12 US claimed
EP-0337946-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP claimed
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
EP-0337946-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed