SCHEMBL11546192

SCHEMBL11546192

CCN(C(=O)n1ccnc1)c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.47
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 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
SCHEMBL11542419 0.85 AHR (0.50) AHRMAPTALOX15TSHRSMN1; SMN2
SCHEMBL11540763 0.78 AHR (0.56) AHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11541537 0.77 AHR (0.50) AHRADRB2ADRB1ADRB3RAB9A
SCHEMBL11540399 0.75 AHR (0.51) AHRMAPTTHRB
SCHEMBL11541542 0.75 MAPT (0.45) AHRADRB1ADRB3MAPTALOX15
SCHEMBL11654670 0.73 AHR (0.46) AHRMAPTRAB9ASMN1; SMN2HTT
SCHEMBL11539808 0.73 CYP19A1 (0.44) AHRMAPT
SCHEMBL5651399 0.72 ALDH1A1 (0.53) TSHRMEN1KMT2AHTT
SCHEMBL11540568 0.72 CYP19A1 (0.46) AHRADRB3MAPTTSHR
SCHEMBL11538337 0.71 FSCN1 (0.54) AHRMAPTTHRB

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-4154945-A Fungicidal substituted imidazoles THE BOOTS COMPANY LIMITED (GB) 1979-05-15 US disclosed
US-4080462-A Fungicidal compositions containing substituted imidazoles THE BOOTS COMPANY LIMITED (EN) 1978-03-21 US disclosed