SCHEMBL9587772

SCHEMBL9587772

CCc1ncnc(NC(C)c2ccc([Si](C)(C)C)cc2)c1I

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
TNF P01375 1/20 0.35
RAB9A P51151 1/20 0.35
NOD1 Q9Y239 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 13/20 0.35
CRHR1 P34998 1/20 0.35
P2RX3 P56373 1/20 0.34
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8304355 0.84 GALR3 (0.38) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL9589323 0.81 ALDH1A1 (0.40) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL9588541 0.79 CNR1 (0.38) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL8756638 0.79 TPH1 (0.40) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL9587805 0.71 HTR7 (0.44)
SCHEMBL8303141 0.70 EGFR (0.38) LMNAEGFRCRHR1P2RX3
SCHEMBL17085318 0.69 GALR3 (0.54) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL9838456 0.68 GALR3 (0.38) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL9838384 0.66 GALR3 (0.36) GALR3NR2F2TNFRAB9ANOD1
SCHEMBL9728735 0.66 EGFR (0.39) GALR3NR2F2EGFRCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993022291-A1 ARTHROPODICIDAL AND FUNGICIDAL AMINOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 WO disclosed