SCHEMBL8306377

SCHEMBL8306377

CCc1ncnc(NCCc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
HTT P42858 5/20 0.47
TTBK1 Q5TCY1 1/20 0.46
TTBK2 Q6IQ55 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC26A6 Q9BXS9 1/20 0.45
VNN1 O95497 1/20 0.44
NR2F2 P24468 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AURKA O14965 1/20 0.42

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
SCHEMBL8308405 0.89 CNR1 (0.53) CNR1CNR2HTTTTBK1TTBK2
SCHEMBL15684755 0.83 HTT (0.49) CNR1CNR2HTTTTBK1TTBK2
SCHEMBL15684987 0.83 RAB9A (0.60) HTTTTBK1TTBK2MEN1LMNA
SCHEMBL9039173 0.82 CNR1 (0.48) CNR1CNR2HTTTTBK1TTBK2
SCHEMBL9039992 0.82 CNR1 (0.48) CNR1CNR2HTTTTBK1TTBK2
SCHEMBL8303441 0.80 HTT (0.47) HTTTTBK1TTBK2MEN1LMNA
SCHEMBL8307878 0.80 HTT (0.54) CNR1CNR2HTTLMNATSHR
SCHEMBL8303763 0.79 GALR3 (0.46) HTTTTBK1TTBK2MEN1LMNA
SCHEMBL9085869 0.78 GALR3 (0.45) CNR1HTTTTBK1TTBK2MEN1
SCHEMBL17133553 0.77 PDE2A (0.47) CNR1HTTTTBK1TTBK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555388-B1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES DU PONT (US) 1999-01-27 EP disclosed
US-5378708-A Agricultural pesticides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-03 US disclosed
WO-1992008704-A1 INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-05-29 WO disclosed