SCHEMBL16199876

SCHEMBL16199876

O=C1NCC1N1CCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTR2C P28335 12/20 0.36
HTR2A P28223 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.33
HTR2B P41595 2/20 0.33
RXFP1 Q9HBX9 1/20 0.31
NPY5R Q15761 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
SCHEMBL20121933 0.81 KDM4E (0.50) ALDH1A1KDM4EPKMRXFP1NPY5R
SCHEMBL17599191 0.71
SCHEMBL20812484 0.71 CRBN (0.47) ALDH1A1CYP1A2
SCHEMBL7649230 0.70 KDM4E (0.50) ALDH1A1KDM4EHTR2CHTR2ACYP1A2
SCHEMBL14244119 0.70
SCHEMBL18444888 0.69 KDM4E (0.52) ALDH1A1KDM4EHTR2CPKMRXFP1
SCHEMBL146122 0.68 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL996257 0.68 HTR2C (0.45) ALDH1A1HTR2CHTR2ACYP1A2CYP3A4
SCHEMBL26095982 0.68 HTR2C (0.45) ALDH1A1HTR2CHTR2ACYP1A2CYP3A4
SCHEMBL2161211 0.68 HTR2C (0.57) ALDH1A1HTR2CHTR2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796929-A2 Lithographic printing plate precursor and method of preparing the same Fujifilm Corporation (JP) 2014-10-29 EP disclosed