SCHEMBL4782399

SCHEMBL4782399

Clc1cc2c(Cl)nccc2s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
ROCK1 Q13464 5/20 0.33
F2RL3 Q96RI0 1/20 0.31
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL31426236 0.82 LMNA (0.35) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL1774726 0.80 F2RL3 (0.35) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL441078 0.80 ALDH1A1 (0.39) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL30456808 0.80 F2RL3 (0.35) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL23088271 0.77 CYP2A6 (0.49) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL29792650 0.77 CYP2A6 (0.49) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL7053747 0.76 LMNA (0.32) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL23088293 0.76 CYP2A6 (0.41) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL20659860 0.76 SELE (0.54) LMNACYP3A4MAPTF2RL3SELE
SCHEMBL14275266 0.76 LMNA (0.32) LMNACYP3A4MAPTAPEX1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675856-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-07-08 EP disclosed
EP-3507276-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-10 EP disclosed
WO-2019046784-A1 COMPOUNDS AND METHODS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR CORVUS PHARMACEUTICALS, INC. (US) 2019-03-07 WO disclosed
WO-2018045144-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2018-03-08 WO disclosed
EP-2132211-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS Ardea Biosciences, Inc. (US) 2009-12-16 EP disclosed
WO-2008058285-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-05-15 WO disclosed