SCHEMBL9818596

SCHEMBL9818596

Cc1cc(C(F)(F)C(F)(F)F)nc(N(C(N)=O)c2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HCRTR1 O43613 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 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
SCHEMBL10458605 0.81 KMT2A (0.40) MEN1CYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL9505019 0.78 CYP1A2 (0.35) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL9739960 0.77 HSP90AA1 (0.39) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL9539862 0.75 ALDH1A1 (0.35) MEN1CYP2C9KMT2AALDH1A1POLB
SCHEMBL9737393 0.74 ALDH1A1 (0.43) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL9738838 0.73 HSP90AA1 (0.38) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL10517413 0.73 ALDH1A1 (0.34) MEN1CYP2C9KMT2ACYP1A2CYP2C19
SCHEMBL9818604 0.73 NPC1 (0.43) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL9737486 0.72 HSP90AA1 (0.37) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL9536239 0.71 SMN1; SMN2 (0.35) KMT2AALDH1A1POLBPDK1PDK2

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-4999046-A Herbicides and plant growth regulators, agricultural use CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed