SCHEMBL8752152

SCHEMBL8752152

CNc1cccc(NOCCO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.36
TSHR P16473 1/20 0.35
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
POLB P06746 1/20 0.31
NR4A1 P22736 1/20 0.31
RAB9A P51151 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 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
SCHEMBL1401823 0.81 APP (0.46) APPTSHRALDH1A1RECQLHSD17B10
SCHEMBL6229318 0.79 DDX3X (0.46) NR4A1RAB9AALDH1A1RECQLMEN1
Hydrochloric Acid SCHEMBL28429247 0.77 DDX3X (0.44) NR4A1ALDH1A1RECQLMEN1KMT2A
SCHEMBL10697594 0.77 ALDH1A1 (0.46) TSHRRAB9AALDH1A1RECQLLMNA
SCHEMBL8310702 0.75 APP (0.54) APPTSHRRAB9AALDH1A1RECQL
SCHEMBL9448468 0.73 MEN1 (0.51) MEN1KMT2A
SCHEMBL628205 0.73 TSHR (0.61) APPTSHRPOLBNR4A1RAB9A
SCHEMBL9442096 0.72 APP (0.41) APPRAB9AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5151093 0.71 TSHR (0.58) APPTSHRPOLBNR4A1RAB9A
SCHEMBL28630486 0.69 MAPT (0.41) POLBRAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605320-B1 Dye composition for keratinic fibres based on paraphenylenediamine, metaphenylenediamines and benzimidazol derivates, and the dyeing process using same OREAL (FR) 1997-04-09 EP claimed
EP-0605320-A1 Dye composition for keratinic fibres based on paraphenylenediamine, metaphenylenediamines and benzimidazol derivates, and the dyeing process using same L'OREAL (FR) 1994-07-06 EP claimed
EP-0605320-B1 Dye composition for keratinic fibres based on paraphenylenediamine, metaphenylenediamines and benzimidazol derivates, and the dyeing process using same OREAL (FR) 1997-04-09 EP disclosed
EP-0605320-A1 Dye composition for keratinic fibres based on paraphenylenediamine, metaphenylenediamines and benzimidazol derivates, and the dyeing process using same L'OREAL (FR) 1994-07-06 EP disclosed