SCHEMBL5331050

SCHEMBL5331050

Oc1ccc(C(F)(F)F)cc1N1CNc2cc(C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSP90AA1 P07900 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KCNMA1 Q12791 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 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
SCHEMBL30211090 0.86 KMT2A (0.41) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL27682291 0.72 KMT2A (0.44) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL8654683 0.69 KMT2A (0.41) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL7559328 0.68 ADRB2 (0.55) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL8523571 0.68 KMT2A (0.43) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL9306101 0.67 KMT2A (0.48) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL31020734 0.67 KMT2A (0.51) KMT2AMEN1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL7554207 0.67 MAPT (0.55) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL29280158 0.66 ALDH1A1 (0.61) KMT2AMEN1MAPTKDM4EHSP90AA1
SCHEMBL27553570 0.66 KMT2A (0.41) KMT2AMEN1MAPTGAAKDM4E

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
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
CN-1344135-A Organ arrest, protection and preservation UNIV JAMES COOK (AU) 2002-04-10 CN disclosed