SCHEMBL17329323

SCHEMBL17329323

NCC(O)c1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.66
ALDH1A1 P00352 5/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
TAAR1 Q96RJ0 1/20 0.54
MLKL Q8NB16 2/20 0.53
GAA P10253 2/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 2/20 0.48
MASP2 O00187 1/20 0.47
MEN1 O00255 1/20 0.47
NUDT1 P36639 1/20 0.47
AOC3 Q16853 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL38662315 1.00 IDO1 (0.66) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL28099191 0.84 IDO1 (0.68) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL27915429 0.83 IDO1 (0.66) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL11687443 0.83 IDO1 (0.66) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL9255168 0.82 ALDH1A1 (0.59) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL3523940 0.81 TAAR1 (0.69) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL27915490 0.80 IDO1 (0.62) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL29683786 0.80 CYP3A4 (0.65) IDO1ALDH1A1POLBL3MBTL1MLKL
SCHEMBL7946544 0.80 IDO1 (0.78) IDO1ALDH1A1POLBL3MBTL1TAAR1
SCHEMBL4921708 0.80 IDO1 (1.00) IDO1ALDH1A1POLBL3MBTL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319955-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORPORATION (JP) 2018-11-08 US disclosed
US-10053553-B2 Rubber composition, and pneumatic tire using same BRIDGESTONE CORPORATION (JP) 2018-08-21 US disclosed
EP-2960284-B1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME BRIDGESTONE CORP (JP) 2018-08-01 EP disclosed
EP-2960284-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME Bridgestone Corporation (JP) 2015-12-30 EP disclosed
US-20150361248-A1 RUBBER COMPOSITION, AND PNEUMATIC TIRE USING SAME OTSUKA CHEMICAL CO., LTD. (JP) 2015-12-17 US disclosed