SCHEMBL9197546

SCHEMBL9197546

COc1ccc(-c2ccc3ocnc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.55
CLK1 P49759 1/20 0.50
MAP4K4 O95819 1/20 0.48
KDR P35968 1/20 0.43
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
FASN P49327 1/20 0.41
ENPP3 O14638 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 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
SCHEMBL29475990 0.86 ALDH1A1 (0.48) DYRK1ACLK1NPC1CASP3RAB9A
SCHEMBL926786 0.86 ALDH1A1 (0.48) DYRK1ACLK1NPC1CASP3RAB9A
SCHEMBL9224437 0.86 CLK4 (0.52) DYRK1ACLK1MAP4K4PDGFRBPDGFRA
SCHEMBL28048555 0.84 DYRK1A (0.72) DYRK1ACLK1FASNCLK4NPC1
SCHEMBL10337032 0.81 DYRK1A (0.60) DYRK1ACLK1FASNENPP3CLK4
SCHEMBL3476126 0.80 KLK3 (0.56) DYRK1ACLK1PDGFRBPDGFRA
SCHEMBL29375136 0.79 DYRK1A (0.62) DYRK1AMAP4K4FASNNPC1RAB9A
SCHEMBL592989 0.79 DYRK1A (0.62) DYRK1AMAP4K4FASNNPC1RAB9A
SCHEMBL31637831 0.78 NPC1 (0.50) CLK1NPC1CASP3RAB9ASMN1; SMN2
SCHEMBL9440539 0.78 CYP11B1 (0.43) DYRK1ACLK1NPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103739565-B Method for synthesizing medicament intermediate benzoxazine ketone derivative 2ND AFFILIATED HOSPITAL & YUYING CHILDREN S HOSPITAL OF WENZHOU MEDICAL UNIVERSITY 2015-06-03 CN disclosed
CN-103739565-A Method for synthesizing medicament intermediate benzoxazine ketone derivative 2ND AFFILIATED HOSPITAL & YUYING CHILDREN S HOSPITAL OF WENZHOU MEDICAL UNIVERSITY 2014-04-23 CN disclosed
EP-0532798-B1 An electroluminescent element ASAHI CHEMICAL IND (JP) 1995-12-06 EP disclosed
EP-0532798-A1 An electroluminescent element ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-03-24 EP disclosed