SCHEMBL3889385

SCHEMBL3889385

OCCn1cc2c(c1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SETD7 Q8WTS6 1/20 0.38
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
P2RX4 Q99571 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
HRH4 Q9H3N8 1/20 0.33
HDAC3 O15379 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
HDAC4 P56524 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
HDAC1 Q13547 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
SCHEMBL3882808 0.75 KMT2A (0.44) KDM4EMAPK1ATMSETD7CYP1A2
SCHEMBL3882223 0.70 PTGIR (0.38) KDM4EMAPK1ATMSETD7CYP1A2
SCHEMBL5693983 0.70 MAPK1 (0.61) KDM4EMAPK1ATMSETD7CYP1A2
SCHEMBL19537981 0.70 MAPK1 (0.61) KDM4EMAPK1ATMSETD7CYP1A2
SCHEMBL10728340 0.68 MAPK1 (0.41) KDM4EMAPK1ATMSETD7CYP1A2
SCHEMBL1366285 0.68 HDAC3 (0.61) KDM4EP2RX4DRD2HDAC3TUBB4A
SCHEMBL30216960 0.67 SIGMAR1 (0.46) P2RX4DRD2HDAC3TUBB4ATUBB
SCHEMBL2595930 0.67 SIGMAR1 (0.46) P2RX4DRD2HDAC3TUBB4ATUBB
SCHEMBL2222059 0.65 KDM4E (0.50) KDM4EMAPK1ATMSETD7CYP1A2
SCHEMBL2793464 0.64 MAPK1 (0.48) KDM4EMAPK1ATMSETD7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed