SCHEMBL9968211

SCHEMBL9968211

CCC(C)(C)c1cnc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C(C)(C)CC)cnc43)cc2C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 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
SCHEMBL63587 0.73 KDM4E (0.52) NPC1LMNARAB9AATMSMN1; SMN2
SCHEMBL29462706 0.73 KDM4E (0.52) NPC1LMNARAB9AATMSMN1; SMN2
SCHEMBL29349946 0.73 KDM4E (0.52) NPC1LMNARAB9AATMSMN1; SMN2
SCHEMBL9968239 0.72 PPARG (0.37) PTGER4MAPK1ATM
SCHEMBL9968266 0.72 PGR (0.35) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL9968176 0.70 KDM4E (0.33) ATM
SCHEMBL10100831 0.70 KDM4E (0.48) NPC1LMNARAB9AATMSMN1; SMN2
SCHEMBL13049632 0.70 KDM4E (0.48) NPC1LMNARAB9AATMSMN1; SMN2
SCHEMBL13471432 0.70 CCR1 (0.38) NPC1ATM
SCHEMBL22062923 0.69 KDM4E (0.47) LMNAATM

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed