SCHEMBL7973702

SCHEMBL7973702

CCc1ncnc(NC2COC(c3ccccc3)C2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ADORA3 P0DMS8 8/20 0.35
ADORA2A P29274 8/20 0.35
ADORA2B P29275 8/20 0.35
ADORA1 P30542 8/20 0.35
MEN1 O00255 1/20 0.35
BTK Q06187 4/20 0.32
ADRA2A P08913 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 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
SCHEMBL7971763 0.90 ADORA3 (0.39) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL7970268 0.82 KDM4E (0.33) CHRM4
SCHEMBL8490628 0.80 PRCP (0.46) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL8490623 0.80 PRCP (0.46) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL9058473 0.79 MEN1 (0.35) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL19287695 0.77 KDM4E (0.36) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL7977980 0.77 TP53 (0.33) ADORA3ADORA2AADORA2BADORA1BTK
SCHEMBL7976516 0.73 BTK (0.40) TSHRMEN1BTK
SCHEMBL7992282 0.73 KDM4E (0.34) MEN1CHRM4
SCHEMBL8487365 0.72 BTK (0.42) BTK

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
US-6207668-B1 FOR CONTROLLING INSECTS OR THEIR EGGS; AS FUNGICIDES, OVICIDES OR AS VETERINARY MEDICAMENTS HOECHST SCHERING (DE) 2001-03-27 US disclosed