SCHEMBL7753784

SCHEMBL7753784

N#C/N=C(/Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.46
TACR1 P25103 2/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
ACP1 P24666 1/20 0.39
PTPN7 P35236 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN13 Q12923 1/20 0.39
SSU72 Q9NP77 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.38
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TAS2R14 Q9NYV8 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 1.00 P2RX1 (0.46) P2RX1TACR1MAPTKDM4EMEN1
SCHEMBL7759728 0.91 TMPRSS4 (0.43) P2RX1MAPTKDM4ETMPRSS4HTT
SCHEMBL3651343 0.90 MAPT (0.50) MAPTMEN1KMT2AFAAHTRPV1
SCHEMBL3651341 0.90 MAPT (0.50) MAPTMEN1KMT2AFAAHTRPV1
SCHEMBL13375875 0.88 RAB9A (0.46) MAPTMEN1KMT2AFAAHTRPV1
SCHEMBL2087130 0.81 KMT2A (0.43) MAPTKDM4EMEN1KMT2AP2RX7
SCHEMBL4920373 0.81 KMT2A (0.43) MAPTKDM4EMEN1KMT2AP2RX7
SCHEMBL12793870 0.81 KMT2A (0.43) MAPTKDM4EMEN1KMT2AP2RX7
SCHEMBL7758060 0.80 KMT2A (0.47) MAPTMEN1KMT2AFAAHTRPV1
SCHEMBL7758055 0.80 KMT2A (0.47) MAPTMEN1KMT2AFAAHTRPV1

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