SCHEMBL28051529

SCHEMBL28051529

NC=CCc1ncc[nH]1.NCCCc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.42
TERT O14746 1/20 0.38
ALOX15 P16050 1/20 0.34
TAAR1 Q96RJ0 4/20 0.33
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
HRH4 Q9H3N8 3/20 0.31
HRH3 Q9Y5N1 1/20 0.31
FDPS P14324 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
SCHEMBL168278 0.87
SCHEMBL72312 0.85
Hydrochloric Acid SCHEMBL10593420 0.83 TBXAS1 (0.54) TBXAS1TERTALOX15TAAR1KLK1
Hydrochloric Acid SCHEMBL11095387 0.83 TBXAS1 (0.54) TBXAS1TERTALOX15TAAR1KLK1
Bromide SCHEMBL29037591 0.83 TBXAS1 (0.51) TBXAS1TERTALOX15TAAR1HRH4
SCHEMBL1028789 0.79 TBXAS1 (0.56) TBXAS1TERTALOX15TAAR1HRH4
SCHEMBL6583404 0.78 TBXAS1 (0.59) TBXAS1TERTALOX15HRH4HRH3
SCHEMBL2369808 0.78 TBXAS1 (0.59) TBXAS1TERTALOX15HRH4HRH3
SCHEMBL4374038 0.78 TBXAS1 (0.59) TBXAS1TERTALOX15HRH4HRH3
Hydrochloric Acid SCHEMBL9659463 0.78 TBXAS1 (0.57) TBXAS1TERTALOX15TAAR1HRH4

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
CN-104662101-B Hardening resin composition, solder resist are formed by compositions, dry film and printing distributing board and laminate structure and manufacture method thereof 太阳油墨制造株式会社 2016-06-08 CN disclosed