SCHEMBL8610699

SCHEMBL8610699

NC(N)(N)COc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
KCNA3 P22001 1/20 0.50
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SCN4A P35499 2/20 0.43
LTA4H P09960 2/20 0.43
PLA2G2A P14555 1/20 0.43
AOC3 Q16853 1/20 0.43
ALOX15 P16050 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL9618174 0.81 TAAR1 (0.46) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL14499011 0.81 TAAR1 (0.46) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL7868612 0.81 TAAR1 (0.46) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL692288 0.81 TAAR1 (0.46) TAAR1KCNA3ALDH1A1RECQLSCN4A
Hydrochloric Acid SCHEMBL7157447 0.79 TAAR1 (0.45) TAAR1KCNA3ALDH1A1RECQLSCN4A
Hydrochloric Acid SCHEMBL2904274 0.79 TAAR1 (0.45) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL7143393 0.79 TAAR1 (0.45) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL11095913 0.79 LMNA (0.45) TAAR1KCNA3ALDH1A1RECQLLTA4H
Hydrochloric Acid SCHEMBL1455878 0.79 TAAR1 (0.45) TAAR1KCNA3ALDH1A1RECQLSCN4A
SCHEMBL13960150 0.79 KCNA3 (0.55) TAAR1KCNA3ALDH1A1RECQLLTA4H

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
WO-1998023246-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBERS CONTAINING 2-FLUORO 4-AMINOPHENOL, A META-AMINOPHENOL AND/OR A META-PHENYLENEDIAMINE AND DYEING METHOD USING SUCH A COMPOSITION L'OREAL (FR) 1998-06-04 WO claimed
WO-1998023246-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBERS CONTAINING 2-FLUORO 4-AMINOPHENOL, A META-AMINOPHENOL AND/OR A META-PHENYLENEDIAMINE AND DYEING METHOD USING SUCH A COMPOSITION L'OREAL (FR) 1998-06-04 WO disclosed