SCHEMBL7048153

SCHEMBL7048153

Cc1cccc(CN(O)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.51
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
JAK2 O60674 1/20 0.49
HTT P42858 1/20 0.49
PAX8 Q06710 1/20 0.49
CYP2C19 P33261 2/20 0.48
NR3C1 P04150 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44
IDO1 P14902 2/20 0.44
PTGES O14684 1/20 0.44
TSPO P30536 1/20 0.44
CTBP2 P56545 1/20 0.44
TSHR P16473 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43

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
SCHEMBL10778632 0.94 TAAR1 (0.50) TAS2R14RAB9AALDH1A1NPC1JAK2
SCHEMBL30698368 0.94 TAAR1 (0.50) TAS2R14RAB9AALDH1A1NPC1JAK2
SCHEMBL12772089 0.84 TAS2R14 (0.50) TAS2R14RAB9AALDH1A1NPC1JAK2
SCHEMBL7047337 0.82 CYP2C19 (0.64) TAS2R14ALDH1A1CYP2C19CYP2D6CYP2C9
Ethane SCHEMBL8336264 0.81 TSHR (0.56) RAB9AALDH1A1NPC1CYP2C19CYP2D6
SCHEMBL39645 0.81 CYP1A2 (0.55) RAB9AALDH1A1NPC1CYP2C19CYP2D6
SCHEMBL29022195 0.81 ALDH1A1 (0.49) TAS2R14RAB9AALDH1A1NPC1JAK2
SCHEMBL12772105 0.79 BCHE (0.59) TAS2R14ALDH1A1CYP2C19NR3C1CYP2D6
Propane SCHEMBL9330390 0.79 TSHR (0.54) RAB9AALDH1A1NPC1CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL1876474 0.79 CYP1A2 (0.53) RAB9AALDH1A1NPC1CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP claimed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 EP claimed
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP disclosed
US-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US disclosed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 EP disclosed