SCHEMBL6823140

SCHEMBL6823140

CC1Cc2ccccc2N2C1=CC(=O)CC2C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.45
SRD5A1 P18405 3/20 0.43
ALDH1A1 P00352 2/20 0.42
ROCK1 Q13464 1/20 0.41
ACHE P22303 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CLK1 P49759 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37

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
SCHEMBL6820051 0.80 SRD5A1 (0.64) NOTUMSRD5A1ROCK1
SCHEMBL6815740 0.76 AADAT (0.38) NOTUMSRD5A1ALDH1A1LMNA
SCHEMBL6820043 0.76 SRD5A1 (0.67) NOTUMSRD5A1ALDH1A1ROCK1
SCHEMBL6820470 0.75 SRD5A1 (0.67) NOTUMSRD5A1ALDH1A1ACHE
SCHEMBL6815716 0.72 ALDH1A1 (0.41) NOTUMSRD5A1ALDH1A1ROCK1ACHE
SCHEMBL6819941 0.70 SRD5A1 (0.46) NOTUMSRD5A1LMNAMAPT
SCHEMBL7075121 0.68 ROCK1 (0.51) NOTUMALDH1A1ROCK1LMNAHTT
SCHEMBL22005465 0.68 ROCK1 (0.51) NOTUMALDH1A1ROCK1LMNAHTT
SCHEMBL14733729 0.67 ROCK1 (0.50) NOTUMALDH1A1ROCK1LMNAHTT
SCHEMBL11995386 0.67 ROCK1 (0.50) NOTUMALDH1A1ROCK1LMNAHTT

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-1102765-B1 PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2003-09-17 EP claimed
US-6723850-B1 N-ALKYLATION OF THE THIOAMIDE WITH A VINYL KETONE IN PRESENCE OF A STRONG BASE; 6-CHLORO-(1H)-3,4-DIHYDROQUINOLIN-2-THIONE REACTED WITH ETHYL VINYL KETONE APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-04-20 US disclosed
EP-1102765-B1 PROCESS FOR THE SYNTHESIS OF (1$i(H))-BENZO C]QUINOLIZIN-3-ONES DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2003-09-17 EP disclosed