SCHEMBL9538831

SCHEMBL9538831

Cn1ncc2c1Nc1ccccc1O2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.52
DHODH Q02127 1/20 0.38
TSPO P30536 3/20 0.36
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL11007519 0.78 ALOX5 (0.48) ALOX5DHODHGAANPSR1MEN1
SCHEMBL9541332 0.77 ALOX5 (0.44) ALOX5DHODHGAANPSR1MEN1
Phenoxazine SCHEMBL6310178 0.71 ALOX5 (1.00) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL7862 0.71 ALOX5 (1.00) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL29355714 0.71 ALOX5 (1.00) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL28844098 0.71 ALOX5 (1.00) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL25275195 0.69 ALOX5 (0.94) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL5808288 0.69 ALOX5 (0.94) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL20840431 0.69 ALOX5 (0.94) ALOX5DHODHGAANPSR1PARP1
Phenoxazine SCHEMBL29212121 0.69 ALOX5 (0.94) ALOX5DHODHGAANPSR1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993000883-A1 USE OF 1,9-DIHYDRO-PYRAZOLO[4,3-B][1,4]-BENZOXAZINES AS COUPLERS FOR OXIDATION DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-01-21 WO disclosed
US-4552874-A LIPOXYGENASE INHIBITORS, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1985-11-12 US disclosed