SCHEMBL11903255

SCHEMBL11903255

O=C(c1ncccn1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CTSD P07339 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
MET P08581 1/20 0.51
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
F12 P00748 1/20 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
SCHEMBL7112516 0.83 NPC1 (0.61) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL975117 0.83 ALDH1A1 (0.68) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL6644387 0.78 SMN1; SMN2 (0.61) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL411359 0.77 ALDH1A1 (0.59) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL27637513 0.77 ALDH1A1 (0.59) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL1207703 0.76 ALDH1A1 (0.48) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL8548846 0.76 KMT2A (0.60) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL1648665 0.76 TSHR (0.51) ALDH1A1CTSDNPC1RAB9AGAA
SCHEMBL10613860 0.75 ALDH1A1 (0.68) ALDH1A1CTSDGAAHTTNCOA1
SCHEMBL5705801 0.75 TSHR (0.59) ALDH1A1CTSDNPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2674420-B1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF IHARA CHEMICAL IND CO (JP) 2016-01-27 EP claimed
CN-103415510-B The preparation method of aminophenyl pyrimidyl alcohol derivate and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) 2016-01-13 CN claimed
EP-2674420-A1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2013-12-18 EP claimed
CN-103415510-A Method for producing aminophenyl pyrimidinyl alcohol derivative, and synthesis intermediate thereof IHARA CHEMICAL IND CO 2013-11-27 CN claimed
EP-2674420-B1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF IHARA CHEMICAL IND CO (JP) 2016-01-27 EP disclosed
CN-103415510-B The preparation method of aminophenyl pyrimidyl alcohol derivate and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) 2016-01-13 CN disclosed
CN-103415510-B The preparation method of aminophenyl pyrimidyl alcohol derivate and synthetic intermediate thereof IHARA CHEMICAL INDUSTRY CO.,LTD. (JP) 2016-01-13 CN disclosed
EP-2674420-A1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2013-12-18 EP disclosed
EP-2674420-A1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2013-12-18 EP disclosed
CN-103415510-A Method for producing aminophenyl pyrimidinyl alcohol derivative, and synthesis intermediate thereof IHARA CHEMICAL IND CO 2013-11-27 CN disclosed
CN-103415510-A Method for producing aminophenyl pyrimidinyl alcohol derivative, and synthesis intermediate thereof IHARA CHEMICAL IND CO 2013-11-27 CN disclosed
WO-2012105263-A1 METHOD FOR PRODUCING AMINOPHENYL PYRIMIDINYL ALCOHOL DERIVATIVE, AND SYNTHESIS INTERMEDIATE THEREOF イハラケミカル工業株式会社 (JP) 2012-08-09 WO disclosed