SCHEMBL6302153

SCHEMBL6302153

N#Cc1ccc(C#N)c(Nc2cc(F)c(F)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
MAP2K1 Q02750 2/20 0.37
CXCR2 P25025 2/20 0.37
LRRK2 Q5S007 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL22563058 0.76 TRPV4 (0.42) KDM4EGAAALDH1A1MAP2K1LRRK2
SCHEMBL1797379 0.70 TRPV4 (0.59) TRPV4CYP11B1CYP11B2
SCHEMBL21897870 0.70 IMPDH2 (0.37) KDM4EGAAALDH1A1CXCR2TRPV4
SCHEMBL17146959 0.70 LOXL2 (0.41) KDM4EGAAALDH1A1CXCR2LRRK2
SCHEMBL28200176 0.70 KDM4E (0.40) KDM4EGAAALDH1A1CXCR2MEN1
Hydrochloric Acid SCHEMBL20984963 0.68 KDM4E (0.39) KDM4EGAAALDH1A1CXCR2MEN1
Bromide SCHEMBL20984939 0.68 KDM4E (0.39) KDM4EGAAALDH1A1CXCR2MEN1
SCHEMBL11313465 0.67 CA1 (0.37) KDM4EGAAALDH1A1MAP2K1CXCR2
SCHEMBL924361 0.67 TRPV4 (0.45) ALDH1A1TRPV4CYP11B1CYP11B2
SCHEMBL28249040 0.66 SCN1A (0.36) KDM4EALDH1A1MAP2K1LRRK2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed