SCHEMBL8946691

SCHEMBL8946691

CCN(CC)c1ccc2c(c1)C1C(C2)c2ccc(N(CC)CC)cc2N1C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
TSHR P16473 3/20 0.35
CREBBP Q92793 1/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 7/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 4/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 2/20 0.33
GFER P55789 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GRK6 P43250 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 3/20 0.33
USP2 O75604 2/20 0.33
ALOX15 P16050 2/20 0.33
AVPR2 P30518 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
SCHEMBL8946686 1.00 ALDH1A1 (0.35) ALDH1A1TSHRCREBBPLMNAMAPT
SCHEMBL8946696 1.00 ALDH1A1 (0.35) ALDH1A1TSHRCREBBPLMNAMAPT
SCHEMBL8946786 0.85 CREBBP (0.40) ALDH1A1TSHRCREBBPLMNAMAPT
SCHEMBL8946705 0.76 HSD17B3 (0.39) ALDH1A1CREBBPMAPTKMT2AGAA
SCHEMBL8946692 0.76 HSD17B3 (0.39) ALDH1A1CREBBPMAPTKMT2AGAA
SCHEMBL8946666 0.72 MAPT (0.49) ALDH1A1LMNAMAPTGAAHIF1A
SCHEMBL8946337 0.68 AVPR2 (0.33) ALDH1A1TSHRLMNAMAPTKMT2A
SCHEMBL8946326 0.68 AVPR2 (0.33) ALDH1A1TSHRLMNAMAPTKMT2A
SCHEMBL8946434 0.63 HSD17B3 (0.44) ALDH1A1CREBBPLMNAMAPTL3MBTL1
SCHEMBL9094480 0.63 LMNA (0.66) ALDH1A1TSHRLMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed