SCHEMBL5672804

SCHEMBL5672804

CC(C)C1=C(N)Nc2ccccc2O1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.50
DHODH Q02127 1/20 0.37
PARP1 P09874 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5670592 0.76 ALOX5 (0.56) ALOX5DHODHPARP1MEN1KMT2A
SCHEMBL7983033 0.71 ALOX5 (0.50) ALOX5DHODHPARP1MEN1KMT2A
SCHEMBL5673716 0.71 ALOX5 (0.50) ALOX5DHODHPARP1MEN1KMT2A
SCHEMBL3289409 0.70 ALOX5 (0.65) ALOX5DHODHPARP1MEN1KMT2A
SCHEMBL5670359 0.69 ALOX5 (0.52) ALOX5DHODHPARP1MEN1KMT2A
Phenoxazine SCHEMBL28844098 0.69 ALOX5 (1.00) ALOX5DHODHPARP1MEN1KMT2A
Phenoxazine SCHEMBL29355714 0.69 ALOX5 (1.00) ALOX5DHODHPARP1MEN1KMT2A
Phenoxazine SCHEMBL7862 0.69 ALOX5 (1.00) ALOX5DHODHPARP1MEN1KMT2A
Phenoxazine SCHEMBL6310178 0.69 ALOX5 (1.00) ALOX5DHODHPARP1MEN1KMT2A
SCHEMBL17344762 0.68 GAA (0.41) ALOX5MEN1KMT2AGAANPSR1

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
EP-0980362-B1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AG (DE) 2006-08-16 EP disclosed
US-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0980362-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-23 EP disclosed
WO-1998050372-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-11-12 WO disclosed