SCHEMBL7759728

SCHEMBL7759728

COc1cc(NC(=NC#N)Oc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 11/20 0.40
KDM4E B2RXH2 7/20 0.40
P2RX1 P51575 2/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
RUVBL1 Q9Y265 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7753788 0.91 P2RX1 (0.46) TMPRSS4MAPTKDM4EP2RX1HTT
SCHEMBL7753784 0.91 P2RX1 (0.46) TMPRSS4MAPTKDM4EP2RX1HTT
SCHEMBL3651343 0.83 MAPT (0.50) MAPTRXFP1HTTRAB9ASMN1; SMN2
SCHEMBL3651341 0.83 MAPT (0.50) MAPTRXFP1HTTRAB9ASMN1; SMN2
SCHEMBL13375875 0.82 RAB9A (0.46) EPHX2MAPTNPC1HTTRAB9A
SCHEMBL4037228 0.79 ALDH1A1 (0.50) MAPTNPC1MAPK1HTTRAB9A
SCHEMBL14257478 0.79 ALDH1A1 (0.50) MAPTNPC1MAPK1HTTRAB9A
SCHEMBL1012287 0.78 ALDH1A1 (0.57) TMPRSS4EPHX2MAPTKDM4EP2RX1
SCHEMBL7759723 0.77 KMT2A (0.53) TMPRSS4EPHX2MAPTKDM4EMAPK1
SCHEMBL7759717 0.77 KMT2A (0.53) TMPRSS4EPHX2MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077933-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed
WO-1999058497-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed