SCHEMBL10345100

SCHEMBL10345100

COCC(=O)Nc1nc(N)nc(NC2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
CYP2C9 P11712 1/20 0.40
NPR3 P17342 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
SYK P43405 1/20 0.35
JAK3 P52333 1/20 0.35
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL10345263 0.93 CYP2C19 (0.44) CYP2C9NPR3CYP2C19NPSR1ALDH1A1
SCHEMBL10345102 0.84 HDAC1 (0.41) HDAC1CYP2C9NPR3CYP2C19MEN1
Hydrochloric Acid SCHEMBL10490553 0.83 HDAC1 (0.40) HDAC1CYP2C9NPR3CYP2C19MEN1
SCHEMBL10618588 0.82 CYP2C9 (0.40) HDAC1CYP2C9NPR3CYP2C19NPSR1
SCHEMBL10345301 0.82 ADORA1 (0.42) HDAC1CYP2C9NPR3CYP2C19
SCHEMBL10345096 0.79 HDAC1 (0.40) HDAC1CYP2C9NPR3CYP2C19ALDH1A1
SCHEMBL10345111 0.78 KMT2A (0.42) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL10618577 0.78 CYP2C9 (0.40) HDAC1CYP2C9NPR3CYP2C19NPSR1
SCHEMBL10345105 0.75 CYP2C9 (0.40) HDAC1CYP2C9NPR3CYP2C19NPSR1
SCHEMBL10706738 0.74 NUDT1 (0.43) HDAC1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145660-B1 INSECTICIDAL COMPOSITION CIBA-GEIGY AG (CH) 1990-04-18 EP claimed
EP-0145660-A2 Insecticidal composition CIBA-GEIGY AG (CH) 1985-06-19 EP claimed
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