SCHEMBL8942950

SCHEMBL8942950

Cn1nc(-c2c(F)cccc2F)nc1-c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
KMT2A Q03164 5/20 0.43
HPGD P15428 1/20 0.41
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL8942727 0.96 MRGPRX4 (0.47) MRGPRX4KMT2AHPGDMEN1ALDH1A1
SCHEMBL8301628 0.86 MRGPRX4 (0.48) MRGPRX4KMT2AHPGDMEN1ALDH1A1
SCHEMBL8304100 0.86 MRGPRX4 (0.42) MRGPRX4KMT2AHPGDMEN1ALDH1A1
SCHEMBL8304863 0.84 HPGD (0.48) KMT2AHPGDMEN1ALDH1A1NPSR1
SCHEMBL8942557 0.84 KMT2A (0.48) KMT2AHPGDMEN1ALDH1A1NPSR1
SCHEMBL8942500 0.83 MRGPRX4 (0.41) MRGPRX4KMT2AMEN1ALDH1A1NPSR1
SCHEMBL8298176 0.83 MRGPRX4 (0.46) MRGPRX4
SCHEMBL8303920 0.81 HPGD (0.47) KMT2AHPGDMEN1ALDH1A1NPSR1
SCHEMBL8298151 0.81 MRGPRX4 (0.38) MRGPRX4KMT2AHPGDMEN1ALDH1A1
SCHEMBL6507018 0.80 MRGPRX4 (0.47) MRGPRX4KMT2AHPGDMEN1ALDH1A1

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