SCHEMBL10848871

SCHEMBL10848871

CCNc1c(C#N)cnn1-c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.38
P2RX7 Q99572 1/20 0.35
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
PDE10A Q9Y233 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK2A1 P68400 2/20 0.32
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.31
CDK2 P24941 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL10845849 0.91 CNR2 (0.37) PGK1P2RX7PTGS1PTGS2RXRA
SCHEMBL10848004 0.89 RAB9A (0.40) P2RX7PTGS1PTGS2RXRARXRB
SCHEMBL10850615 0.88 P2RX7 (0.36) P2RX7PTGS1PTGS2PDE10ARXRA
SCHEMBL11131564 0.87 P2RX7 (0.33) P2RX7PTGS1PTGS2RXRARXRB
SCHEMBL10849587 0.86 P2RX7 (0.34) P2RX7PTGS1PTGS2RXRARXRB
SCHEMBL10852104 0.86 PTGS1 (0.35) P2RX7PTGS1PTGS2RXRARXRB
SCHEMBL10846053 0.86 PTGS1 (0.37) P2RX7PTGS1PTGS2RXRARXRB
SCHEMBL11133674 0.86 PTGS1 (0.34) P2RX7PTGS1PTGS2CSNK2A1HTT
SCHEMBL10848404 0.85 PKM (0.39) P2RX7PTGS1PTGS2RXRARXRB
SCHEMBL10848458 0.85 PTGS1 (0.36) P2RX7PTGS1PTGS2ALDH1A1CSNK2A1

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
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 US claimed
US-4629495-A Herbicidal 5-amino-4-cyano-1-phenylpyrazoles MAY & BAKER LIMITED (GB) 1986-12-16 US disclosed