SCHEMBL9723609

SCHEMBL9723609

O=C(Nc1ccc(C(F)(F)F)cc1)C(Cl)=NNc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA7 P43166 5/20 0.62
CA4 P22748 4/20 0.62
CNR1 P21554 1/20 0.52
EPHX2 P34913 1/20 0.49
CNR2 P34972 1/20 0.48
P2RX1 P51575 1/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
ENPP2 Q13822 1/20 0.47
RHOC P08134 2/20 0.47
RHOA P61586 2/20 0.47
GRIK1 P39086 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9723601 1.00 CA1 (0.62) CA1CA2CA7CA4CNR1
SCHEMBL9723675 0.88 CA1 (0.76) CA1CA2CA7CA4CNR1
SCHEMBL9723676 0.88 CA1 (0.76) CA1CA2CA7CA4CNR1
SCHEMBL17803166 0.79 EPHX2 (0.49) EPHX2MEN1GAAMAPTKMT2A
SCHEMBL17803167 0.79 EPHX2 (0.49) EPHX2MEN1GAAMAPTKMT2A
SCHEMBL4104729 0.78 RHOC (0.51) CNR1EPHX2CNR2P2RX1P2RX4
SCHEMBL4104726 0.78 RHOC (0.51) CNR1EPHX2CNR2P2RX1P2RX4
SCHEMBL4109459 0.77 CNR2 (0.51) CNR1EPHX2CNR2P2RX1P2RX4
SCHEMBL4109462 0.77 CNR2 (0.51) CNR1EPHX2CNR2P2RX1P2RX4
SCHEMBL4922162 0.77 EPHX2 (0.81) CA1CA2CNR1EPHX2CNR2

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-5091405-A Insecticidal pyrazolines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-25 US disclosed