SCHEMBL81042

SCHEMBL81042

COc1cc(-c2ccc3c(n2)-c2ccccc2C3(C)C)ccc1-c1ccc(-c2ccc3c(n2)-c2ccccc2C3(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDK2 Q15119 1/20 0.36
ACACA Q13085 1/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDGFRB P09619 3/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL93076 0.94 KDM4E (0.43) S1PR1KDM4EALDH1A1NPC1RAB9A
SCHEMBL80241 0.83 PDK2 (0.35) S1PR1KDM4EALDH1A1RAB9APDK2
SCHEMBL81594 0.83 NPC1 (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL81080 0.81 PDK2 (0.36) PDK2KMT2A
SCHEMBL80998 0.81 PDK2 (0.36) PDK2KMT2A
SCHEMBL81005 0.80 PDK2 (0.37) PDK2
SCHEMBL80234 0.80 PDK2 (0.37) PDK2
SCHEMBL80301 0.80 KMT2A (0.34) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL81600 0.79 PDK2 (0.35) PDK2KMT2A
SCHEMBL81002 0.79 PDK2 (0.33) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed