SCHEMBL5239776

SCHEMBL5239776

NC(=O)Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
KIF11 P52732 1/20 0.45
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NOTUM Q6P988 1/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
PIM1 P11309 1/20 0.42
KAT6A Q92794 1/20 0.42
P2RX1 P51575 1/20 0.42
FFAR1 O14842 1/20 0.42
F10 P00742 1/20 0.41

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
SCHEMBL1714299 0.82 CYP3A4 (0.58) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL6637895 0.81 KIF11 (0.59) KMT2AMEN1KIF11EPHX1GAA
SCHEMBL30668186 0.81 KAT6A (0.47) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL22954123 0.81 KAT6A (0.47) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL3147185 0.80 GPR3 (0.50) KIF11PIM1
SCHEMBL29177392 0.80 KMT2A (0.74) KMT2AMEN1MAPTALOX15TSHR
SCHEMBL29139054 0.79 KMT2A (0.43) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL711132 0.79 PARP1 (0.61) MAPTTRPM8KAT6AF10
SCHEMBL29448761 0.79 PARP1 (0.61) MAPTTRPM8KAT6AF10
SCHEMBL29920925 0.79 MEN1 (0.66) KMT2AMEN1KIF11PRSS1ACR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 CN disclosed
CN-1993361-B Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP 2010-05-26 CN disclosed
CN-1993361-A Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2007-07-04 CN disclosed
EP-1765823-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2005121147-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-22 WO disclosed