SCHEMBL8906341

SCHEMBL8906341

C#CCN1C(CBr)=CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.32
POLB P06746 2/20 0.32
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL7168528 0.73 HTR2A (0.50) MAOAMAOBMEN1KMT2APOLB
Methane SCHEMBL29165350 0.70 HTR1A (0.49) MAOAMAOB
SCHEMBL28963619 0.68 MAOA (0.42) MAOAMAOBMEN1KMT2ATRPA1
SCHEMBL5661000 0.68 HTR1A (0.50) MAOAMAOB
SCHEMBL9378395 0.67 POLB (0.59) MAOAMAOBMEN1KMT2APOLB
SCHEMBL9384361 0.65 MAOA (0.46) MAOAMAOBMEN1KMT2ATRPA1
SCHEMBL7529537 0.62 HTR2A (0.35) MEN1KMT2AHTR2A
SCHEMBL9378956 0.61 TSHR (0.59) MEN1KMT2APOLBHTR2A
SCHEMBL5527249 0.61 AADAT (0.42) MEN1KMT2APOLB
SCHEMBL10689364 0.61 ALDH1A1 (0.41) MEN1KMT2APOLBCYP1A2

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
US-5691121-A PHOTOGRAPHIC LIGHT-SENSITIVE SILVER HALIDE MATERIAL AGFA-GEVAERT. N.V. (BE) 1997-11-25 US disclosed
EP-0704751-A1 Method for making negative lith images or direct positive images AGFA-GEVAERT N.V. (BE) 1996-04-03 EP disclosed