SCHEMBL28154682

SCHEMBL28154682

CCCOc1c([N+](=O)[O-])cc(OC)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MCL1 Q07820 1/20 0.47
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41

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
SCHEMBL28845737 0.87 MAPT (0.46) MAPTALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL28334963 0.83 MAPT (0.43) MAPTALDH1A1TDP1SMN1; SMN2L3MBTL1
SCHEMBL28153704 0.83 MAPT (0.43) HTTMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL11572355 0.78 HTT (0.57) HTTMCL1PKMMAPTALDH1A1
SCHEMBL7821448 0.78 ALDH1A1 (0.51) HTTMAPTALDH1A1KDM4ECYP3A4
SCHEMBL19396235 0.78 HTT (0.51) HTTMCL1PKMMAPTALDH1A1
SCHEMBL10334569 0.77 TPMT (0.60) PKMMAPTALDH1A1TPMTSMN1; SMN2
SCHEMBL8109799 0.77 TPMT (0.47) HTTMAPTALDH1A1KDM4ECYP3A4
SCHEMBL10335547 0.76 SMN1; SMN2 (0.48) HTTMAPTALDH1A1CYP3A4TPMT
SCHEMBL7830300 0.76 PKM (0.75) HTTPKMMAPTALDH1A1KDM4E

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
CN-107108796-B Polymer compound, surface treatment agent, laminate using surface treatment agent, transistor, and method for producing laminate 株式会社尼康 2019-10-01 CN disclosed
CN-107108796-A Polymer compound, surface treatment agent, laminate using surface treatment agent, transistor, and method for producing laminate 株式会社尼康 2017-08-29 CN disclosed