SCHEMBL10345557

SCHEMBL10345557

CC(=O)Nc1nc(NC(C)=O)nc(NC2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPR3 P17342 1/20 0.40
PI4KB Q9UBF8 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
PDE4A P27815 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
BRAF P15056 1/20 0.38
ACACB O00763 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 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
SCHEMBL10345096 0.91 HDAC1 (0.40) POLBCYP1A2L3MBTL1CYP2C9CYP2C19
SCHEMBL3299561 0.80 POLB (0.62) POLBCYP1A2L3MBTL1CYP2C9CYP2C19
SCHEMBL11474745 0.78 PDE4A (0.48) CYP2C9CYP2C19NPR3PDE4ARAB9A
SCHEMBL10345263 0.75 CYP2C19 (0.44) CYP2C9CYP2C19NPR3ALDH1A1RAB9A
SCHEMBL10618588 0.74 CYP2C9 (0.40) CYP2C9CYP2C19NPR3PDE4ABRAF
SCHEMBL10345102 0.73 HDAC1 (0.41) CYP2C9CYP2C19NPR3ADORA3ADORA1
SCHEMBL10345105 0.73 CYP2C9 (0.40) CYP2C9CYP2C19NPR3ADORA1ALDH1A1
SCHEMBL10616777 0.72 CYP2C9 (0.50) CYP2C9CYP2C19NPR3ALDH1A1ACACB
Hydrochloric Acid SCHEMBL10490553 0.72 HDAC1 (0.40) CYP2C9CYP2C19NPR3ADORA3ADORA1
SCHEMBL12766932 0.72 POLB (0.54) POLBCYP1A2L3MBTL1CYP2C9CYP2C19

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-0145660-B1 INSECTICIDAL COMPOSITION CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed
US-4824845-A CONTROLLING ECTOPARASITES IN ANIMALS CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
EP-0145660-A2 Insecticidal composition CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed