SCHEMBL17997307

SCHEMBL17997307

COc1ccc2ccccc2c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NISCH Q9Y2I1 1/20 0.42
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
DUSP3 P51452 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DNMT1 P26358 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
SCHEMBL21331819 0.88 MAPT (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL1365289 0.87 MAPT (0.58) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL28439942 0.84 HTR7 (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL20304 0.84 HTR7 (0.40) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5502813 0.83 HTR7 (0.39) MAPTMEN1KMT2AALDH1A1RAB9A
Hydrochloric Acid SCHEMBL29391428 0.83 HTR7 (0.39) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL30068977 0.83 HTR7 (0.39) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4444992 0.83 SMN1; SMN2 (0.38) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL4216711 0.83 HTR7 (0.39) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL30181989 0.83 HTR7 (0.39) MAPTMEN1KMT2AALDH1A1RAB9A

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
EP-2900657-B1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2020-03-11 EP disclosed
EP-3119775-B1 OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2019-11-06 EP disclosed
EP-3077384-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS WITH ELECTROPHILIC FUNCTIONALITY HOFFMANN LA ROCHE (CH) 2017-09-06 EP disclosed
EP-2906566-B1 PROCESS FOR MAKING THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed