SCHEMBL10033583

SCHEMBL10033583

Cc1cccc(OC(=O)c2cc(N)cc(N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALOX5 P09917 1/20 0.61
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.50
KMT2A Q03164 7/20 0.49
ESR1 P03372 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PPARG P37231 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 1/20 0.44

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
SCHEMBL13292724 0.85 NSD2 (0.46) MAPTALOX5LMNACYP3A4KMT2A
SCHEMBL7211406 0.84 MAPT (0.67) MAPTALOX5LMNACYP1A2CYP3A4
SCHEMBL16247996 0.83 MAPT (0.70) MAPTALOX5LMNACYP1A2CYP3A4
SCHEMBL29723825 0.83 MAPT (0.66) MAPTALOX5LMNACYP1A2CYP3A4
SCHEMBL8631476 0.82 ESR1 (0.60) MAPTALOX5LMNACYP3A4POLB
SCHEMBL5435205 0.81 MAPT (0.63) MAPTALOX5LMNACYP1A2CYP3A4
SCHEMBL11069059 0.81 MAPT (0.63) MAPTALOX5LMNACYP1A2CYP3A4
SCHEMBL30689549 0.81 MAPT (0.63) MAPTALOX5LMNACYP1A2CYP3A4
SCHEMBL2633411 0.81 NSD2 (0.62) MAPTALOX5LMNACYP3A4KMT2A
SCHEMBL12798583 0.81 NSD2 (0.54) MAPTALOX5LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
WO-2012002501-A1 LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM 日産化学工業株式会社 (JP) 2012-01-05 WO disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed