SCHEMBL9804779

SCHEMBL9804779

CCCCC(C#N)(Cc1cccnn1)c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.36
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL9804906 0.87 CCR1 (0.34) CCR1CYP19A1
SCHEMBL9804652 0.80 CTDSP1 (0.32) CTDSP1
SCHEMBL9804810 0.79 CYP19A1 (0.39) CCR1EBPSIGMAR1POLBSMN1; SMN2
SCHEMBL10371879 0.79 CYP19A1 (0.36) CCR1EBPSIGMAR1POLBSMN1; SMN2
SCHEMBL10372451 0.76 TDP1 (0.45) CCR1EBPSIGMAR1L3MBTL1CYP19A1
SCHEMBL9021740 0.76 CCR1 (0.40) CCR1EBPSIGMAR1POLBSMN1; SMN2
SCHEMBL9804907 0.75 CYP19A1 (0.43) CCR1EBPSIGMAR1POLBSMN1; SMN2
SCHEMBL9804637 0.75 CTDSP1 (0.35) CCR1EBPSIGMAR1CTDSP1
SCHEMBL10466714 0.74 CCR1 (0.40) CCR1EBPSIGMAR1POLBSMN1; SMN2
SCHEMBL8036943 0.73 CCR1 (0.34) CCR1EBPSIGMAR1POLBSMN1; SMN2

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
EP-0276920-B1 (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed