SCHEMBL28061641

SCHEMBL28061641

FC(F)(F)c1cnc(Cc2cccc(Cc3ncc(C(F)(F)F)cc3Cl)c2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
GLA P06280 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL7689405 0.84 KMT2A (0.59) KMT2AMEN1GLATDP1L3MBTL1
SCHEMBL5687500 0.82 KMT2A (0.60) KMT2AMEN1GLATDP1L3MBTL1
SCHEMBL7687051 0.81 KMT2A (0.50) KMT2AMEN1GLATDP1L3MBTL1
SCHEMBL27433056 0.79 MEN1 (0.66) KMT2AMEN1TDP1L3MBTL1NPSR1
SCHEMBL31255154 0.76 TDP1 (0.59) KMT2AMEN1GLATDP1L3MBTL1
SCHEMBL3208283 0.76 TDP1 (0.59) KMT2AMEN1GLATDP1L3MBTL1
SCHEMBL28227779 0.76 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27925135 0.76 HTT (0.61) KMT2AMEN1GLANPSR1HTT
SCHEMBL2278694 0.75 TDP1 (0.58) KMT2AMEN1GLATDP1L3MBTL1
SCHEMBL11982024 0.75 TDP1 (0.58) KMT2AMEN1GLATDP1L3MBTL1

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
CN-105594717-A Pesticidal mixture BASF SE 2016-05-25 CN disclosed