SCHEMBL9765862

SCHEMBL9765862

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
APAF1 O14727 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCHR1 Q99705 2/20 0.39
KMT2A Q03164 3/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
ACHE P22303 1/20 0.37
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9765831 0.90 KDM4E (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1APAF1
SCHEMBL8018827 0.75 MEN1 (0.45) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL9765814 0.74 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL9765875 0.74 ALDH1A1 (0.36) KDM4EMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL11786690 0.73 HTT (0.57) MAPTSMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL11783952 0.73 HCAR1 (0.43) SMN1; SMN2KMT2ALMNAGAACYP3A4
SCHEMBL9343492 0.73 KDM5B (0.38) ALDH1A1LMNAPKM
SCHEMBL11780795 0.73 MKNK1 (0.42) MAPTSMN1; SMN2ALDH1A1
SCHEMBL9341586 0.72 KDM5B (0.37) ALDH1A1ABL1LMNAPKM
SCHEMBL9723106 0.72 GABRA2 (0.40) L3MBTL1KMT2ALMNAACHEMEN1

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