SCHEMBL670720

SCHEMBL670720

NCc1cccc(CNN)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ PKM P14618 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ MAPT P10636 2/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ IDO1 P14902 1/20 0.56
▸ LOXL2 Q9Y4K0 3/20 0.50
▸ PNMT P11086 1/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ PRMT6 Q96LA8 1/20 0.46
▸ NOS1 P29475 4/20 0.44
▸ NOS2 P35228 4/20 0.44
▸ NOS3 P29474 3/20 0.44

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
SCHEMBL31435874 1.00 CYP3A4 (0.61) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL28584924 0.91 CYP3A4 (0.71) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL834002 0.84 LOXL2 (0.52) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL30186883 0.84 LOXL2 (0.52) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL36008 0.83 LOXL2 (0.71) CYP3A4NFKB1LOXL2PNMTENPP2
SCHEMBL10422276 0.83 LOXL2 (0.71) CYP3A4NFKB1LOXL2PNMTENPP2
SCHEMBL31057651 0.82 LOXL2 (0.50) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL16938676 0.80 IDO1 (0.59) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL24292850 0.80 PNMT (0.54) CYP3A4NFKB1CYP1A2PKMALOX15
SCHEMBL11445203 0.80 CYP3A4 (0.59) CYP3A4NFKB1CYP1A2PKMALOX15

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
EP-2605646-A1 EARLY APPLICATIONS OF ENCAPSULATED ACETAMIDES FOR REDUCED INJURY IN CROPS Monsanto Technology, LLC (US) 2013-06-26 — — EP disclosed
WO-2012024524-A1 EARLY APPLICATIONS OF ENCAPSULATED ACETAMIDES FOR REDUCED INJURY IN CROPS MONSANTO TECHNOLOGY LLC (US) 2012-02-23 — — WO disclosed
EP-2028239-A1 Ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-02-25 — — EP disclosed
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