SCHEMBL8320518

SCHEMBL8320518

COc1cc(/C=N/c2ccc(Br)cc2)cc(OC)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.63
MAPT P10636 3/20 0.59
GAA P10253 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
PTGS1 P23219 2/20 0.50
AMY1A P0DUB6 1/20 0.48
S100B P04271 1/20 0.47
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45

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
SCHEMBL8320519 1.00 PTGS2 (0.63) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL8321666 0.85 PTGS2 (0.65) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL8325328 0.85 S100B (0.66) PTGS2MAPTGAAKMT2APTGS1
SCHEMBL8325327 0.85 S100B (0.66) PTGS2MAPTGAAKMT2APTGS1
SCHEMBL8321668 0.85 PTGS2 (0.65) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL28964170 0.85 PTGS2 (0.65) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL8319560 0.84 PTGS2 (0.63) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL8319558 0.84 PTGS2 (0.63) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL8575456 0.79 PTGS2 (0.58) PTGS2MAPTGAAKMT2AKDM4E
SCHEMBL8575451 0.79 PTGS2 (0.58) PTGS2MAPTGAAKMT2AKDM4E

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
US-5990137-A ANTIINFLAMMATION AGENTS; PREVENTING THE OXIDATING BURST FROM PHAGOCYTIC LEUKOCYTES; CONTROLLING FREE RADICALS IN THE IMMUNE RESPONSE IDUN PHARMACEUTICALS, INC. (US) 1999-11-23 US disclosed
US-5939460-A Method of inhibiting NADPH oxidase IDUN PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed
WO-1998001120-A1 METHOD OF INHIBITING NADPH OXIDASE IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-01-15 WO disclosed