SCHEMBL11740971

SCHEMBL11740971

COCCOCCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
TTR P02766 1/20 0.58
PPOX P50336 1/20 0.58
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 2/20 0.42
FFAR1 O14842 2/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
S1PR4 O95977 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
SCHEMBL11745283 1.00 KMT2A (0.58) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11742826 0.92 MEN1 (0.58) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10951170 0.87 MEN1 (0.57) KMT2AMEN1TDP1TTRPPOX
SCHEMBL8354960 0.87 KMT2A (0.58) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11740157 0.87 MEN1 (0.64) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11742834 0.87 TDP1 (0.57) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10344873 0.87 MEN1 (0.64) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10950354 0.87 MEN1 (0.56) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10607104 0.86 MEN1 (0.66) KMT2AMEN1TDP1TTRPPOX
Oxyfluorfen SCHEMBL8539841 0.86 MEN1 (0.65) KMT2AMEN1TDP1TTRPPOX

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-4017295-A 3'-ALKOXYETHOXYLATED 2-CHLORO-4-(CHLORO- OR TRIFLUOROMETHYL)-4'-NITRODIPHENYL ETHER ISHIHARA SANGYO KAISHA LTD. (JA) 1977-04-12 US disclosed