SCHEMBL10908987

SCHEMBL10908987

CCP(O)O.CNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
TTR P02766 1/20 0.60
PPOX P50336 1/20 0.60
FFAR1 O14842 2/20 0.44
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
KCNH2 Q12809 3/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10712751 0.92 TDP1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10881627 0.85 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10596753 0.83 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10853442 0.83 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
Phosphonic Acid SCHEMBL10880991 0.83 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10454743 0.82 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8320988 0.82 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10828357 0.82 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
Butane SCHEMBL11133089 0.82 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10597469 0.82 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX

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
US-4618358-A CONTROLLING WEEDS IN RICE CIBA-GEIGY CORPORATION (US) 1986-10-21 US claimed
US-4618358-A CONTROLLING WEEDS IN RICE CIBA-GEIGY CORPORATION (US) 1986-10-21 US disclosed