SCHEMBL9198299

SCHEMBL9198299

[Li]C#CCOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL10576592 0.88 MEN1 (0.38) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL9195356 0.84 MEN1 (0.40) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL2989785 0.83 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL11813613 0.83 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL10679266 0.81 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL6335488 0.81 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL3397472 0.81 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL7533743 0.81 MEN1 (0.35) MEN1KMT2AKDM4CGRM5L3MBTL1
SCHEMBL9491131 0.81 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6151098 0.80 MEN1 (0.33) MEN1KMT2AKDM4CGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995012583-A1 NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1995-05-11 WO disclosed
EP-0639184-A1 NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO. INC. (US) 1995-02-22 EP disclosed
WO-1993022292-A1 NEW QUINAZOLINES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-11-11 WO disclosed
EP-0569083-A1 New quinazolines as inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1993-11-10 EP disclosed
US-4609651-A ANTIGESTATION, ANTIMINERALOCORTICOID SCHERING AKTIENGESELLSCHAFT (DE) 1986-09-02 US disclosed
US-4536401-A ANTIPROGESTATION AND ANTIMINERALOCORTICORD EFFECTS SCHERING AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
US-3965181-A Tricyclic pharmacological agents, intermediates and methods of making SYNTEX (U.S.A.) INC. (US) 1976-06-22 US disclosed