SCHEMBL10691838

SCHEMBL10691838

FC(F)(F)c1cc(-n2ccnn2)nc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.49
EGLN2 Q96KS0 1/20 0.42
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
KEAP1 Q14145 1/20 0.35
HCRTR1 O43613 1/20 0.33
CYP19A1 P11511 1/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL10684672 0.76 NOTUM (0.55) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL10694005 0.75 NOTUM (0.50) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL10690116 0.75 EGLN2 (0.62) NOTUMEGLN2CYP1A2CYP2C9CHRNB2
SCHEMBL10980403 0.74 NOTUM (0.70) NOTUMEGLN2CYP1A2CYP2C9CHRNB2
SCHEMBL10690034 0.70 NOTUM (0.56) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL3291350 0.70 CES2 (0.44) CYP2C19
SCHEMBL10688400 0.69 NOTUM (0.50) NOTUMEGLN2CYP1A2CYP2C9CHRNB2
SCHEMBL10689785 0.69 NOTUM (0.45) NOTUM
SCHEMBL8738734 0.68 NOTUM (0.60) NOTUMEGLN2CYP1A2CYP2C9CHRNB2
SCHEMBL25406664 0.66 CYP17A1 (0.45) NOTUMEGLN2KEAP1CNR1

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