SCHEMBL5747843

SCHEMBL5747843

NC(=O)NC(=S)N1N=CC=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN4A P35499 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
P2RX4 Q99571 13/20 0.34
P2RX1 P51575 3/20 0.33
P2RX3 P56373 3/20 0.33
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5414507 0.81 ALDH1A1 (0.34) LMNAP2RX4ALDH1A1
SCHEMBL7339446 0.81 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7334705 0.81 LMNA (0.51) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5451448 0.78 MAPT (0.39) TSHRALDH1A1
SCHEMBL27285585 0.77 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5068751 0.76 P2RX4 (0.42) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL2979170 0.75 P2RX4 (0.42) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL15865153 0.74 LMNA (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL5412229 0.74 LMNA (0.44) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL3100027 0.73 P2RX4 (0.54) LMNATSHRMAPK1SCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592673-A4 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES IVAX DRUG RES INST LTD (HU) 2006-10-25 EP disclosed
EP-1592673-A2 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES Ivax Institute for Drug Research, Ltd. (HU) 2005-11-09 EP disclosed
WO-2004069197-A2 NOVEL SUBSTITUTED 2,3-BENZODIAZEPINE DERIVATIVES IVAX CORPORATION (US) 2004-08-19 WO disclosed