SCHEMBL9838372

SCHEMBL9838372

c1ccc2c(c1)Nc1c(ccc3nc4conc4cc13)O2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.41
DHODH Q02127 1/20 0.37
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL19971565 0.84 ALOX5 (0.44) ALOX5DHODHHTR2BHTR7MAPT
SCHEMBL9840343 0.81 ALOX5 (0.40) ALOX5DHODHHTR2BHTR7MAPT
SCHEMBL325772 0.78 ALOX5 (0.45) ALOX5DHODHHTR2BHTR7MAPT
SCHEMBL28780034 0.70 ALOX5 (0.45) ALOX5DHODHMAPTTDP1L3MBTL1
SCHEMBL9227117 0.70 ALOX5 (0.47) ALOX5DHODHMAPTMEN1KMT2A
SCHEMBL31191628 0.70 ALOX5 (0.55) ALOX5DHODHTDP1
SCHEMBL30530994 0.70 ALOX5 (0.55) ALOX5DHODHTDP1
SCHEMBL121074 0.70 ALOX5 (0.55) ALOX5DHODHTDP1
SCHEMBL28571843 0.68 ALOX5 (0.53) ALOX5DHODHTDP1L3MBTL1
Hydrochloric Acid SCHEMBL31235549 0.68 ALOX5 (0.53) ALOX5DHODHHTR2BHTR7TDP1

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 7 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
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