SCHEMBL8577962

SCHEMBL8577962

O=S(=O)=[N+]1c2ccccc2Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
CYP1A2 P05177 1/20 0.37
MAOB P27338 1/20 0.34
HTR2A P28223 1/20 0.32
CYP2A6 P11509 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
AHR P35869 1/20 0.30
PDK2 Q15119 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL11304912 0.69 MAOB (0.39) MAOACYP1A2MAOBHTR2ACYP2A6
SCHEMBL29881712 0.64
SCHEMBL1525601 0.64
SCHEMBL22081972 0.64 CYP1A2 (0.62) MAOACYP1A2MAOBHTR2ACYP2A6
SCHEMBL109650 0.64 CYP1A2 (0.62) MAOACYP1A2MAOBHTR2ACYP2A6
SCHEMBL9847703 0.64 CYP1A2 (0.42) MAOACYP1A2MAOBCYP2A6BCHE
Formaldehyde SCHEMBL8080395 0.63
SCHEMBL29136589 0.63
SCHEMBL15516801 0.62 CYP1A2 (0.52) MAOACYP1A2MAOBHTR2ACYP2A6
Fluorene SCHEMBL27693183 0.62 MAOA (0.58) MAOACYP1A2HTR2ADRD2BCHE

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-5783699-A MAY BE CONJUGATED TO ANTIGENS, HAPTENS, ANTIBODIES IN IMMUNOASSAYS ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
US-5669819-A IMMUNOASSAY ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545739-A E.G., 5-METHYL-6-(N-2-CARBOXYETHYL-N=(2-CARBOXYETHYL)-PHENANTHRIDIN IUMCARBOXAMIDE CHLORIDE; IMMUNOASSAYS; STABILITY; SENSITIVITY ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5543524-A FORMING A SULFONAMIDE FROM AND AMINE AND A SULFONYL HALIDE AND AND ACYLATING WITH A CARBONYL HALIDE OF AN ACTIVATED ACRIDINE SALT ABBOTT LABORATORIES (US) 1996-08-06 US disclosed