SCHEMBL4401088

SCHEMBL4401088

Cc1ccc2c(c1)Cc1cc(C(=O)c3ccc4c(c3)Cc3cc(C)ccc3-4)ccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
HSD17B1 P14061 1/20 0.53
SRD5A2 P31213 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
METAP1 P53582 2/20 0.47
CNR2 P34972 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.42
PGR P06401 1/20 0.42
KMT2A Q03164 2/20 0.41

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
SCHEMBL20198232 0.92 SRD5A2 (0.64) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL26575457 0.87 RAB9A (0.82) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL4897556 0.82 METAP1 (0.57) MAPTRAB9ANPC1HSD17B1ALDH1A1
SCHEMBL10965128 0.82 MAPT (0.53) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL13978787 0.82 MAPT (0.53) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL29633547 0.82 METAP1 (0.57) MAPTRAB9ANPC1HSD17B1ALDH1A1
SCHEMBL2186803 0.79 SRD5A2 (0.66) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL30738988 0.79 SRD5A2 (0.66) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL10968736 0.79 SRD5A2 (0.77) MAPTRAB9ANPC1HSD17B1SRD5A2
SCHEMBL2188139 0.79 SRD5A2 (0.66) MAPTRAB9ANPC1HSD17B1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed