SCHEMBL19001597

SCHEMBL19001597

CCCCCCc1cc(C)cc(C2(C)c3ccccc3-c3ccc(-c4ncc(Br)c5ccccc45)cc32)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
GPR3 P46089 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
STAT3 P40763 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18987035 0.95 HSD11B1 (0.33) HSD11B1GPR3NPC1MAPTSTAT3
SCHEMBL20623055 0.86 PDK2 (0.32)
SCHEMBL19001626 0.85 LPL (0.35) HSD11B1
SCHEMBL19001624 0.83 ADORA3 (0.31) SMN1; SMN2
SCHEMBL19001594 0.80 GPR3 (0.38) HSD11B1GPR3NPC1RAB9ASMN1; SMN2
SCHEMBL18987115 0.80 LPL (0.37) HSD11B1
SCHEMBL18987124 0.78 SMN1; SMN2 (0.32) MAPTRAB9ASMN1; SMN2
SCHEMBL18216924 0.77 RAB9A (0.44) HSD11B1GPR3NPC1MAPTSTAT3
SCHEMBL18216927 0.76 RAB9A (0.33) HSD11B1NPC1MAPTSTAT3RAB9A
SCHEMBL19996217 0.75 CNR2 (0.37) GPR3NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390418-B1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECH LTD (GB) 2020-08-05 EP disclosed
WO-2017103586-A1 LIGHT-EMITTING COMPOSITION CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed
WO-2017103584-A1 LIGHT-EMITTING COMPOUND CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-06-22 WO disclosed