SCHEMBL9765831

SCHEMBL9765831

O=c1cc(C(F)(F)C(F)(F)F)ncn1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
APAF1 O14727 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
MCHR1 Q99705 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL9765862 0.90 KDM4E (0.44) KDM4EMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9339490 0.74 GABRA2 (0.38) ACHE
SCHEMBL9730772 0.74 HCAR1 (0.38)
SCHEMBL9730834 0.71 ESR2 (0.33) SMN1; SMN2TDP1GAA
SCHEMBL9730652 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9340434 0.70 GABRA2 (0.35) L3MBTL1LMNAGAAACHE
SCHEMBL9730698 0.70 GABRB3 (0.30)
SCHEMBL9723059 0.69 NPSR1 (0.31) L3MBTL1KMT2AMEN1
SCHEMBL9593760 0.69 GABRA2 (0.36) KDM4EMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9581512 0.68 SORT1 (0.38) L3MBTL1KMT2AHPGDMEN1

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-4990512-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-05 US disclosed
EP-0357201-A2 Pyridyl pyrimidinone derivatives with an insecticidal activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-07 EP disclosed