SCHEMBL16598178

SCHEMBL16598178

Cn1cccc1Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATAD2 Q6PL18 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIN28A Q9H9Z2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL27246671 0.80 MEN1 (0.52) TAAR1ALDH1A1ALOX15L3MBTL1ATAD2
SCHEMBL10103709 0.76 MEN1 (0.44) LMNATAAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16598261 0.75 HRH3 (0.44) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL41191 0.73 L3MBTL1 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL29830938 0.73 L3MBTL1 (0.59) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL16598484 0.71 LMNA (0.44) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL4938201 0.71 L3MBTL1 (0.57) HRH3LMNATAAR1ALDH1A1ALOX15
SCHEMBL29715188 0.71 L3MBTL1 (0.57) HRH3LMNATAAR1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL10884973 0.71 L3MBTL1 (0.57) HRH3LMNATAAR1ALDH1A1ALOX15
Ammonia Solution, Strong SCHEMBL6176560 0.71 L3MBTL1 (0.57) HRH3LMNATAAR1ALDH1A1ALOX15

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-2712000-B1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2017-02-15 EP disclosed
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed