SCHEMBL17694302

SCHEMBL17694302

c1ccc(-c2ccccc2-c2ccc3c(c2)c2cnccc2n3-c2ccc3oc4ccc(-n5c6ccncc6c6cnccc65)cc4c3c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
MAPT P10636 1/20 0.32
MAPK14 Q16539 1/20 0.31
GRM5 P41594 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
CYP2A6 P11509 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL16451565 0.97 TGFBR1 (0.33) TGFBR1ALOX5APFEN1MAPTMAPK14
SCHEMBL18748726 0.93 ALOX5AP (0.31) TGFBR1ALOX5APFEN1MAPT
SCHEMBL5030309 0.93 TGFBR1 (0.36) TGFBR1MAPTMAPK14GRM5PIM1
SCHEMBL12114616 0.93 TGFBR1 (0.36) TGFBR1MAPTMAPK14GRM5PIM1
SCHEMBL5028301 0.91 PRKDC (0.36) GRM5
SCHEMBL13471345 0.90 CYP2A6 (0.40) TGFBR1GRM5PIM1PIM3CYP2A6
SCHEMBL11946077 0.89 NPY5R (0.37) TGFBR1MAPTMAPK14GRM5PIM1
SCHEMBL13471349 0.89 TGFBR1 (0.34) TGFBR1MAPTMAPK14GRM5PIM1
SCHEMBL13471317 0.89 NPC1 (0.38) TGFBR1MAPTMAPK14GRM5PIM1
SCHEMBL10123521 0.89 NPY5R (0.37) TGFBR1MAPTMAPK14GRM5PIM1

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-20160111676-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2016-04-21 US disclosed
US-20160111676-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2016-04-21 US disclosed