SCHEMBL6514980

SCHEMBL6514980

CC1(P(c2ccccc2)c2ccccc2)C=CC=CC1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32

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
SCHEMBL6510367 0.80 KDM1A (0.30) KDM1AMAOAMAOB
SCHEMBL902725 0.77 KDM1A (0.30) KDM1A
SCHEMBL3992251 0.76 KDM1A (0.36) KDM1AMAOAMAOB
SCHEMBL6542690 0.76
SCHEMBL6512660 0.76
SCHEMBL381944 0.75 TRPA1 (0.31) KDM1AMAOAMAOB
SCHEMBL1153469 0.74 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL20017698 0.73 HTR2A (0.35) KDM1AMAOAMAOB
SCHEMBL11266183 0.73 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL13818654 0.73 KDM1A (0.34) KDM1AMAOAMAOB

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-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO claimed
WO-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO disclosed