SCHEMBL9219650

SCHEMBL9219650

O=c1c2ccccc2sc2cc[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
POLB P06746 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL18258500 0.84 GPR3 (0.54) GPR3KDM4EMAPTALDH1A1TDP1
SCHEMBL36332 0.77 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1TDP1
SCHEMBL4696033 0.77 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1TDP1
SCHEMBL9160474 0.77 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1TDP1
SCHEMBL29374932 0.77 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1TDP1
SCHEMBL10476774 0.77 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1TDP1
SCHEMBL30515127 0.77 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1TDP1
Hydrogen Sulfide SCHEMBL23748456 0.75 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL6303550 0.75 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL585838 0.75 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1TDP1

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-0643713-A1 PYRROLO(1,2-B)-(1,2)-BENZOTHIAZIN-10-ONE AND ITS USE AS AN ANTIMICROBIAL THE DOW CHEMICAL COMPANY (US) 1995-03-22 EP disclosed
WO-1994022876-A1 PYRROLO(1,2-B)-(1,2)-BENZOTHIAZIN-10-ONE AND ITS USE AS AN ANTIMICROBIAL THE DOW CHEMICAL COMPANY (US) 1994-10-13 WO disclosed
US-5270307-A Pyrrolo(1,2-b)-(1,2)-benzothiazin-10-one and its use as an antimicrobial THE DOW CHEMICAL COMPANY (US) 1993-12-14 US disclosed