SCHEMBL8306293

SCHEMBL8306293

N#Cc1n[nH]c(N)c1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SGK1 O00141 1/20 0.38
GABRP O00591 3/20 0.37
GABRD O14764 3/20 0.37
GABRA1 P14867 3/20 0.37
GABRB1 P18505 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRA4 P48169 3/20 0.37
GABRE P78334 3/20 0.37
GABRA6 Q16445 3/20 0.37
GABRG1 Q8N1C3 3/20 0.37
GABRG3 Q99928 3/20 0.37
GABRQ Q9UN88 3/20 0.37
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2418512 0.84 GABRP (0.42) MEN1KMT2ASGK1GABRPGABRD
SCHEMBL8339081 0.81 KIF11 (0.41) MEN1KMT2ASGK1GABRPGABRD
SCHEMBL11133144 0.81 DHODH (0.40) MEN1KMT2ASGK1GABRPGABRD
Ammonia Solution, Strong SCHEMBL7749674 0.72 NOTUM (0.32) DYRK1A
SCHEMBL8302686 0.71 DYRK1A (0.35) MEN1KMT2ASGK1SMN1; SMN2LMNA
SCHEMBL11028475 0.70 GABRA2 (0.43) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL9220607 0.70 CTSS (0.40) MEN1KMT2ALMNANPSR1CTSS
SCHEMBL8551679 0.70
SCHEMBL8399379 0.70 NOTUM (0.36) DHODH
SCHEMBL7254336 0.70 NPSR1 (0.40) MEN1KMT2ANPSR1MRGPRX4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed