SCHEMBL9999689

SCHEMBL9999689

NCC(O)c1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
ATM Q13315 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.50
APEX1 P27695 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TAAR1 Q96RJ0 3/20 0.47

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
SCHEMBL6852153 0.85 ALDH1A1 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL31023643 0.82 NPC1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL21709860 0.82 NPC1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL4065050 0.79 NPC1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL30745165 0.79 UGT2B7 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL188108 0.79 UGT2B7 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL30853278 0.79 ALDH1A1 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL24630956 0.78 ADRB2 (0.49) MAPTALDH1A1TSHRNPC1POLB
SCHEMBL6664822 0.78 CYP3A4 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL13363674 0.78 ALDH1A1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2TSHR

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
WO-2019244939-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME, AND PRODUCTION METHOD FOR SAID LIQUID CRYSTAL DISPLAY ELEMENT, AND DIAMINE COMPOUND 日産化学株式会社 2019-12-26 WO disclosed
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed
WO-2011132751-A1 LIQUID-CRYSTAL ALIGNMENT AGENT, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2011-10-27 WO disclosed