SCHEMBL8942500

SCHEMBL8942500

Cn1nc(-c2c(F)cccc2Cl)nc1-c1ccc(COc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
ADAMTS4 O75173 1/20 0.40
GABRA5 P31644 1/20 0.39
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC2A1 P11166 1/20 0.37
LIPE Q05469 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
PTGES O14684 1/20 0.35
USP1 O94782 1/20 0.35
WDR48 Q8TAF3 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL8304674 0.89 GABRA5 (0.38) MRGPRX4GABRA5KMT2ANPSR1KDM4E
SCHEMBL8942727 0.87 MRGPRX4 (0.47) MRGPRX4KMT2ANPSR1KDM4EMEN1
SCHEMBL8439602 0.84 MRGPRX4 (0.45) MRGPRX4NPSR1KDM4E
SCHEMBL8300515 0.83 GABRA5 (0.34) MRGPRX4GABRA5KMT2ANPSR1KDM4E
SCHEMBL8304314 0.83 KMT2A (0.48) KMT2ANPSR1KDM4ELIPEMEN1
SCHEMBL8303158 0.83 KMT2A (0.48) KMT2ANPSR1KDM4ELIPEMEN1
SCHEMBL8942950 0.83 MRGPRX4 (0.48) MRGPRX4KMT2ANPSR1MEN1ALDH1A1
SCHEMBL8300716 0.82 KMT2A (0.45) KMT2ANPSR1KDM4EMEN1POLB
SCHEMBL8304023 0.81 KMT2A (0.44) KMT2AMEN1POLBMAPT
SCHEMBL8298176 0.80 MRGPRX4 (0.46) MRGPRX4

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-5482951-A Triazole derivatives as well as insecticide and acaricide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-01-09 US disclosed