SCHEMBL381945

SCHEMBL381945

Cc1c(-c2ccccc2)cccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.40
PDCD1 Q15116 1/20 0.40
ROCK2 O75116 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.34
HTR7 P34969 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HTR1A P08908 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL1159030 0.85 ALDH1A1 (0.41) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL29353025 0.85 ALDH1A1 (0.41) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL133189 0.85 ALDH1A1 (0.41) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL1931350 0.83 ALDH1A1 (0.40) ROCK2MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL29639278 0.83 ALDH1A1 (0.40) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL5840557 0.83 ALDH1A1 (0.40) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL33526641 0.83 ALDH1A1 (0.40) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL16694717 0.83 GAA (0.39) ROCK2MEN1KMT2AALDH1A1LMNA
Dimethylamine SCHEMBL645332 0.83 ALDH1A1 (0.40) ROCK2MEN1KMT2AALDH1A1LMNA
SCHEMBL1790973 0.83 ALDH1A1 (0.37) ROCK2MEN1KMT2AALDH1A1LMNA

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-2023230249-A1 NOVEL HEPATOSELECTIVE POLYADENYLATING POLYMERASES INHIBITORS AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-11-30 WO disclosed
EP-2675774-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2013-12-25 EP disclosed
WO-2012111849-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 WO disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
EP-1515951-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-03-23 EP disclosed
WO-2004000811-A1 ARYLSULFONYLHYDROXAMIC ACID AND AMIDE DERIVATIVES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-12-31 WO disclosed