SCHEMBL9796403

SCHEMBL9796403

CC(C)=NOCCOC(=O)c1cc(-n2c(=O)cc(C)n(C)c2=O)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
CTSB P07858 1/20 0.38
KMT2A Q03164 5/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
MYC P01106 2/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
CASP3 P42574 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
SCHEMBL9796408 0.87 TDP1 (0.35) TDP1CTSBKMT2AMAPK1CYP4F2
SCHEMBL9796389 0.86 TDP1 (0.42) TDP1CTSBKMT2AMAPTCYP1A2
SCHEMBL9495720 0.86 TDP1 (0.42) TDP1CTSBKMT2AMAPTCYP1A2
SCHEMBL9706684 0.84 MAPK1 (0.48) TDP1CTSBKMT2AMAPTCYP1A2
SCHEMBL9706679 0.76 TDP1 (0.65) TDP1CTSBKMT2AMAPTCYP1A2
SCHEMBL9796374 0.72 BAZ2B (0.34) MAPTCYP1A2BAZ2BBAZ2AHPGD
SCHEMBL9495601 0.72 TDP1 (0.39) TDP1CTSBKMT2AMAPTMAPK1
SCHEMBL6908332 0.72 ALDH1A1 (0.39) TDP1CTSBKMT2AMAPK1CYP4F2
SCHEMBL6699195 0.71 CYP4F2 (0.44) TDP1CTSBKMT2AMAPTCYP1A2
SCHEMBL9495511 0.71 GUSB (0.33) MAPTCYP1A2BAZ2BBAZ2AHPGD

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-5041156-A 3-aryluracils for the control of weeds CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed