SCHEMBL7815701

SCHEMBL7815701

CCN(CC)c1ccc2nc3c4cc(OCCCCCC(=O)OC(=O)CCC(=O)OC(=O)CCCCCOc5ccc6c(=O)cc7oc8cc(N(CC)CC)ccc8nc-7c6c5)ccc4c(=O)cc-3oc2c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.79
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
GPR84 Q9NQS5 10/20 0.55
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7812016 0.93 SCP2 (0.78) SCP2MEN1NPC1POLBRAB9A
SCHEMBL7812704 0.92 SCP2 (0.93) SCP2MEN1NPC1POLBRAB9A
SCHEMBL14267417 0.88 SCP2 (1.00) SCP2MEN1NPC1POLBRAB9A
SCHEMBL4662862 0.86 SCP2 (0.77) SCP2MEN1NPC1POLBRAB9A
SCHEMBL26434988 0.85 SCP2 (0.75) SCP2MEN1NPC1POLBRAB9A
SCHEMBL62370 0.84 SCP2 (0.77) SCP2MEN1NPC1POLBRAB9A
SCHEMBL61656 0.84 SCP2 (0.75) SCP2MEN1NPC1POLBRAB9A
SCHEMBL19646592 0.84 SCP2 (0.77) SCP2MEN1NPC1POLBRAB9A
SCHEMBL7805770 0.84 SCP2 (0.65) SCP2MEN1NPC1POLBRAB9A
SCHEMBL26434823 0.84 SCP2 (0.76) SCP2MEN1NPC1POLBRAB9A

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-0885263-B1 BENZOPHENOXAZINE DYES AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-04-25 EP disclosed
US-6166202-A Benzophenoxazine dyes AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-12-26 US disclosed
EP-0885263-A1 BENZOPHENOXAZINE DYES Amersham Pharmacia Biotech UK Limited (GB) 1998-12-23 EP disclosed
WO-1997029154-A1 BENZOPHENOXAZINE DYES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-08-14 WO disclosed