SCHEMBL20458076

SCHEMBL20458076

O/C=C1\CCCc2c1cnn2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.40
RECQL P46063 1/20 0.40
ELANE P08246 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 3/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
SLC2A1 P11166 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
POLB P06746 1/20 0.35
PTGS1 P23219 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HPGD P15428 2/20 0.34
BRD4 O60885 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL9222639 0.82 AADAT (0.44) AADATRECQLTSHRALDH1A1LMNA
SCHEMBL9222643 0.82 AADAT (0.44) AADATRECQLTSHRALDH1A1LMNA
SCHEMBL6663384 0.79 ELANE (0.55) AADATRECQLELANETSHRLMNA
SCHEMBL20439112 0.79 SMN1; SMN2 (0.46) AADATRECQLELANETSHRALDH1A1
SCHEMBL20423851 0.78 AADAT (0.40) AADATRECQLELANETSHRALDH1A1
SCHEMBL20423850 0.78 AADAT (0.40) AADATRECQLELANETSHRALDH1A1
SCHEMBL9218142 0.77 AADAT (0.44) AADATRECQLTSHRALDH1A1LMNA
SCHEMBL9220188 0.73 AADAT (0.47) AADATRECQLELANETSHRALDH1A1
SCHEMBL9219795 0.68 PLK4 (0.41) AADATRECQLTSHRALDH1A1LMNA
SCHEMBL9219418 0.67 TSHR (0.40) AADATRECQLTSHRALDH1A1PKM

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
EP-3357914-B1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM CORP (JP) 2019-11-20 EP disclosed
EP-3357914-A1 AROMATIC COMPOUND PRODUCTION METHOD FUJIFILM Corporation (JP) 2018-08-08 EP disclosed