SCHEMBL28006451

SCHEMBL28006451

NCc1ccc(-c2ccc(Oc3ccc(-c4ccc(CN)cc4)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.74
HRH3 Q9Y5N1 1/20 0.70
TAAR1 Q96RJ0 3/20 0.58
MAOB P27338 5/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
CYP2A6 P11509 1/20 0.45
ADRB2 P07550 1/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP14 P50281 2/20 0.45

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
SCHEMBL4209153 0.92 ST14 (0.85) ST14HRH3MAOBLOXL2MMP2
SCHEMBL27571222 0.91 TAAR1 (0.75) ST14HRH3TAAR1MAOBLOXL2
SCHEMBL2274647 0.84 HRH3 (1.00) HRH3TAAR1LOXL2CYP2A6ADRB2
SCHEMBL121432 0.83 ST14 (0.71) ST14TAAR1MAOBLOXL2
SCHEMBL12634637 0.83 LOXL2 (0.71) ST14MAOBLOXL2
SCHEMBL6391600 0.81 ABAT (0.73) ST14TAAR1
SCHEMBL921428 0.81 ST14 (0.68) ST14HRH3TAAR1MAOB
SCHEMBL920620 0.81 ST14 (0.68) ST14HRH3TAAR1MAOBLOXL2
SCHEMBL920324 0.81 ST14 (0.68) ST14TAAR1MAOB
SCHEMBL6158673 0.81 ST14 (0.68) ST14HRH3TAAR1MAOBMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843963-A Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer 旭化成株式会社 2019-06-04 CN disclosed
CN-109803992-A The manufacturing method of isocyanate composition and isocyanate polymer 旭化成株式会社 2019-05-24 CN disclosed
CN-106008269-B Polyisocyantates composition and isocyanate polymer composition 旭化成株式会社 2018-10-19 CN disclosed
CN-107963982-A Polyisocyantates composition and isocyanate polymer composition 旭化成株式会社 2018-04-27 CN disclosed
CN-104619682-B Polyisocyanate composition and isocyanate polymer composition 旭化成株式会社 2018-01-19 CN disclosed
CN-107056656-A Polyisocyantates composition and isocyanate polymer composition 旭化成株式会社 2017-08-18 CN disclosed
CN-106008269-A POLYISOCYANATE COMPOSITION AND ISOCYANATE POLYMER COMPOSITION 旭化成株式会社 2016-10-12 CN disclosed
CN-105924370-A Polyisocyanate Composition And Isocyanate Polymer Composition 旭化成株式会社 2016-09-07 CN disclosed
CN-104619682-A Polyisocyanate composition and isocyanate polymer composition ASAHI KASEI CHEMICALS CORP 2015-05-13 CN disclosed