SCHEMBL27989554

SCHEMBL27989554

O=C(c1nc2cc(O)ccc2[nH]1)c1nc2cc(O)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.49
PDGFRB P09619 2/20 0.49
ABL1 P00519 1/20 0.49
KIT P10721 1/20 0.49
BCR P11274 1/20 0.49
CCND3 P30281 1/20 0.44
CDK6 Q00534 1/20 0.44
SMAD3 P84022 1/20 0.43
PDGFRA P16234 1/20 0.42
PLAU P00749 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIN1 Q13526 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL4811045 0.87 PIN1 (0.54) FLT3PDGFRBABL1KITBCR
SCHEMBL9737654 0.80 DAGLA (0.43) FLT3PDGFRBABL1KITBCR
SCHEMBL27670838 0.80 MAPKAPK2 (0.49) CCND3CDK6DYRK1APIN1NPC1
SCHEMBL28379872 0.80 PIN1 (0.58) FLT3PDGFRBCCND3CDK6PDGFRA
SCHEMBL27354737 0.78 ALDH1A1 (0.54) NPC1RAB9AALDH1A1POLBMAPT
SCHEMBL28151599 0.76 PLAU (0.46) FLT3PDGFRBABL1KITBCR
SCHEMBL14601535 0.76 AMY1A (0.51) FLT3PDGFRBABL1KITBCR
SCHEMBL27989553 0.76 PDGFRB (0.54) FLT3PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4314492 0.75 F10 (0.48) PLAU
SCHEMBL250171 0.75 CCND3 (0.70) PDGFRBABL1CCND3CDK6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101962489-B Methods of making nanosized particles of benzimidazolone pigments XEROX CORP 2015-06-03 CN disclosed
CN-101962487-B Nanosized particles of benzimidazolone pigments XEROX CORP 2015-05-27 CN disclosed
CN-102040560-B Self-assembled nanostructures XEROX CORP 2015-01-28 CN disclosed