SCHEMBL9840343

SCHEMBL9840343

c1ccc2c(c1)Nc1c(ccc3nc4csnc4cc13)O2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.40
DHODH Q02127 1/20 0.36
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL9838372 0.81 ALOX5 (0.41) ALOX5DHODHMAPTTDP1L3MBTL1
SCHEMBL19971565 0.80 ALOX5 (0.44) ALOX5DHODHMAPTTDP1L3MBTL1
SCHEMBL325772 0.77 ALOX5 (0.45) ALOX5DHODHMAPTTDP1L3MBTL1
SCHEMBL28780034 0.69 ALOX5 (0.45) ALOX5DHODHMAPTTDP1L3MBTL1
SCHEMBL9227117 0.69 ALOX5 (0.47) ALOX5DHODHMAPT
SCHEMBL31191628 0.69 ALOX5 (0.55) ALOX5DHODHTDP1
SCHEMBL30530994 0.69 ALOX5 (0.55) ALOX5DHODHTDP1
SCHEMBL121074 0.69 ALOX5 (0.55) ALOX5DHODHTDP1
SCHEMBL28571843 0.68 ALOX5 (0.53) ALOX5DHODHTDP1L3MBTL1
Hydrochloric Acid SCHEMBL31235549 0.68 ALOX5 (0.53) ALOX5DHODHTDP1HTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227039-B1 ISOXAZOLO-PYRIDO-PHENOXAZINE AND ISOTHIAZOLO-PYRIDO-PHENOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4689325-A Isoxazolo-pyrido-phenoxazine and isothiazolo-pyrido-phenoxazine derivatives ABBOTT LABORATORIES (US) 1987-08-25 US disclosed
US-4689325-A Isoxazolo-pyrido-phenoxazine and isothiazolo-pyrido-phenoxazine derivatives ABBOTT LABORATORIES (US) 1987-08-25 US disclosed
US-4689325-A Isoxazolo-pyrido-phenoxazine and isothiazolo-pyrido-phenoxazine derivatives ABBOTT LABORATORIES (US) 1987-08-25 US disclosed
EP-0227039-A1 Isoxazolo-pyrido-phenoxazine and isothiazolo-pyrido-phenoxazine derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed
EP-0227039-A1 Isoxazolo-pyrido-phenoxazine and isothiazolo-pyrido-phenoxazine derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed