SCHEMBL5280734

SCHEMBL5280734

CC(C)(C)C1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2D6 P10635 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
ELANE P08246 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PRMT1 Q99873 1/20 0.32
CALM1 P0DP23 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5277548 0.80 MAOA (0.36) MAOAMAOBCALM1MAPT
SCHEMBL5275281 0.80 MAOA (0.36) MAOAMAOBTP53ELANEHPGD
SCHEMBL5279531 0.77 MAOA (0.34) MAOAMAOBCALM1
SCHEMBL5276808 0.77 MAOA (0.34) MAOAMAOBCALM1MAPT
SCHEMBL5279760 0.73 SLC6A2 (0.35) SLC6A2TAAR1MAOAMAOBCYP2D6
SCHEMBL5277481 0.72 ELANE (0.40) MAOAMAOBTP53ELANETSHR
SCHEMBL5282506 0.72 MAOB (0.43) MAOAMAOBTP53HPGDTSHR
SCHEMBL5280214 0.69 TP53 (0.41) MAOAMAOBTP53ELANETSHR
SCHEMBL9978691 0.68 MAOB (0.40) MAOAMAOBTP53TSHRCALM1
SCHEMBL3034490 0.68 MAOA (0.40) MAOAMAOBTP53ELANETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed