SCHEMBL6820079

SCHEMBL6820079

Cc1ccc2c(c1)C(C)CC1=CC(=O)CCN12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 14/20 1.00
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL6819849 0.85 SRD5A1 (1.00) SRD5A1
SCHEMBL6820083 0.82 SRD5A1 (0.69) SRD5A1
SCHEMBL6820238 0.77 SRD5A1 (0.62) SRD5A1KMT2A
SCHEMBL6820361 0.76 SRD5A1 (1.00) SRD5A1
SCHEMBL6820263 0.74 SRD5A1 (1.00) SRD5A1KDM4E
SCHEMBL6820284 0.73 SRD5A1 (0.74) SRD5A1ACHEKDM4E
SCHEMBL6819779 0.66 SRD5A1 (0.62) SRD5A1KMT2A
SCHEMBL28042961 0.65 SRD5A1 (0.50) SRD5A1ACHE
SCHEMBL24893215 0.64 SRD5A1 (0.64) SRD5A1KMT2AKDM4E
SCHEMBL6819774 0.63 SRD5A1 (1.00) SRD5A1

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