SCHEMBL9737180

SCHEMBL9737180

CC1(C)C(=O)NC(=O)N1c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.52
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
PDE4D Q08499 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE7A Q13946 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL634212 0.82 AR (0.61) ARKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4030854 0.75 AR (0.73) ARKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6141421 0.74 HPN (0.49) ARKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6140611 0.73 POLB (0.56) ARKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28901655 0.72 SLC6A9 (0.48) KMT2ACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL993768 0.72 HTT (0.64) LMNASMN1; SMN2PDE7AALDH1A1L3MBTL1
SCHEMBL11266362 0.72 CASP1 (0.42) KMT2ACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL993767 0.72 HTT (0.64) LMNASMN1; SMN2PDE7AALDH1A1L3MBTL1
SCHEMBL25259776 0.71 PDE7A (0.44) ARKMT2APDE7APOLBALDH1A1
SCHEMBL29378218 0.71 GAA (0.61) KMT2ACYP1A2CYP2C9CYP2C19CYP3A4

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
EP-0506763-A1 SITE-SPECIFIC RECOMBINATION OF DNA IN PLANT CELLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-07 EP disclosed