SCHEMBL16656144

SCHEMBL16656144

Cc1ccc2c(c1)C1(c3cc(N)ccc3-2)c2cc(N)ccc2-c2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 4/20 0.41
NPC1 O15118 3/20 0.41
CASP1 P29466 2/20 0.41
TSHR P16473 1/20 0.41
CASP7 P55210 1/20 0.41
PDK2 Q15119 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
PTPRC P08575 2/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL12681944 1.00 ACHE (0.42) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL11886620 1.00 ACHE (0.42) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL17789218 0.92 PDK2 (0.41) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL24254783 0.91 SMN1; SMN2 (0.50) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL13326482 0.91 SMN1; SMN2 (0.50) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL19060980 0.91 SMN1; SMN2 (0.50) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL19286810 0.87 PDK2 (0.47) ACHEALDH1A1PDK2SMN1; SMN2TDP1
SCHEMBL807365 0.87 PDK2 (0.47) ALDH1A1RAB9AHSD17B10NPC1CASP1
SCHEMBL19074899 0.86 SMN1; SMN2 (0.41) ACHEALDH1A1RAB9AHSD17B10NPC1
SCHEMBL18731221 0.86 SMN1; SMN2 (0.49) ACHEALDH1A1RAB9AHSD17B10NPC1

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
US-9406943-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2016-08-02 US disclosed
US-20150194681-A1 ELECTROCATALYSTS USING POROUS POLYMERS AND METHOD OF PREPARATION UCHICAGO ARGONNE, LLC (US) 2015-07-09 US disclosed
US-9012344-B2 Electrocatalysts using porous polymers and method of preparation UCHICAGO ARGONNE, LLC (US) 2015-04-21 US disclosed