SCHEMBL9100196

SCHEMBL9100196

NC1(O)C=CC=CC1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.34
MAOA P21397 15/20 0.34
MAOB P27338 15/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CHRNA7 P36544 1/20 0.31

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
SCHEMBL734440 0.82 KDM1A (0.38) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL3787414 0.81 CYP3A4 (0.34) MAOAMAOB
SCHEMBL365626 0.80 CHRNA7 (0.32) CHRNA7
SCHEMBL1153469 0.78 KDM1A (0.44) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL23203046 0.77 CHRNA7 (0.31) KDM1ACHRNA7
SCHEMBL5149443 0.77 HTR2A (0.39) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL8911306 0.76 KDM1A (0.32) KDM1AMAOAMAOBCHRNA7
SCHEMBL5453054 0.76 RECQL (0.31) CHRNA7
SCHEMBL2870312 0.76 MAOA (0.39) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL3456746 0.74 CHRNA7 (0.33) CHRNA7

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
JP-8225781-A None JP disclosed
JP-H08225781-A REVERSIBLE THERMAL COLORING AND DECOLORING AGENT, ITS PRODUCTION, REVERSIBLE HEAT-SENSITIVE RECORDING MEDIUM UTILIZING THE SAME AND METHOD FOR RECORDING AND DECOLORING RICOH CO LTD 1996-09-03 JP disclosed