SCHEMBL3629401

SCHEMBL3629401

CON=Cc1ccc(Cl)cc1C(=N)NC#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SRC P12931 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
TP53 P04637 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
SCHEMBL3629396 0.75 KDM4E (0.37) ALDH1A1KDM4EGAAGABRA1GABRG2
SCHEMBL3629398 0.75 KDM4E (0.37) ALDH1A1KDM4EGAAGABRA1GABRG2
SCHEMBL3629402 0.75 KDM4E (0.37) ALDH1A1KDM4EGAAGABRA1GABRG2
SCHEMBL3632093 0.75 LMNA (0.48) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL10041862 0.69 MAPT (0.50) ALDH1A1KDM4EGAAGABRA1GABRG2
SCHEMBL8220455 0.69 MAPT (0.50) ALDH1A1KDM4EGAAGABRA1GABRG2
SCHEMBL10905376 0.67 KMT2A (0.55) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL10905375 0.67 KMT2A (0.55) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL10905574 0.60 KMT2A (0.46) ALDH1A1KDM4ENPC1MAPTKMT2A
SCHEMBL10905570 0.60 KMT2A (0.46) ALDH1A1KDM4ENPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142522-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-13 EP claimed
WO-2008121558-A1 1, 3-THIAZOL-2 (3H) -YLIDENE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-09 WO claimed