SCHEMBL10691665

SCHEMBL10691665

Clc1cc(-n2ccnn2)cc(Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 0.66
KEAP1 Q14145 1/20 0.46
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRNB2 P17787 1/20 0.37
CYP2B6 P20813 1/20 0.37
MAOA P21397 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR3A P46098 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
SCHEMBL10690034 0.83 NOTUM (0.56) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL10983173 0.81 NOTUM (0.68) NOTUMKEAP1CYP19A1
SCHEMBL14851143 0.75 NOTUM (0.57) NOTUMKEAP1CYP19A1
SCHEMBL11102521 0.72 NOTUM (1.00) NOTUMKEAP1CYP19A1
SCHEMBL14955603 0.72 NOTUM (0.57) NOTUMKEAP1CYP19A1
SCHEMBL22163916 0.72 KEAP1 (0.67) NOTUMKEAP1CYP19A1
SCHEMBL14964134 0.72 NOTUM (0.64) NOTUMKEAP1CYP19A1
SCHEMBL10447781 0.72 NOTUM (0.78) NOTUMKEAP1CYP19A1
SCHEMBL10984591 0.72 NOTUM (1.00) NOTUMKEAP1
SCHEMBL29875720 0.72 CYP1A2 (0.45) NOTUMCYP1A2

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-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US claimed
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US disclosed