SCHEMBL10558285

SCHEMBL10558285

O=C1CC2C[S+]([O-])c3ccccc3C2=NN1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL10558290 1.00 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10560151 0.91 MAPT (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7288991 0.90 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10560167 0.89 CES2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10557783 0.88 GAA (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9866843 0.88 PDE4A (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10564163 0.88 CA12 (0.35) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL10558366 0.88 MAPT (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10561445 0.87 GRM5 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10562596 0.85 CES2 (0.38) LMNAPDE4APDE4BPDE4CPDE4D

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
US-4843075-A ANXIOLYTIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-06-27 US claimed
EP-0252990-A1 BENZOTHIOPYRANO(4,3-C)PYRIDAZINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-20 EP claimed
US-4843075-A ANXIOLYTIC YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
EP-0252990-A1 BENZOTHIOPYRANO(4,3-C)PYRIDAZINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-01-20 EP disclosed