SCHEMBL9999585

SCHEMBL9999585

O=C(NCCCn1ccnc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.67
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
QPCT Q16769 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.56
ALOX15 P16050 1/20 0.55

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
SCHEMBL10852956 0.89 KMT2A (0.69) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL5257772 0.88 SMN1; SMN2 (0.71) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL11836458 0.84 PKM (0.60) CYP19A1MEN1KMT2AALDH1A1MAPT
SCHEMBL14552409 0.82 CYP19A1 (0.60) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10657230 0.82 ALDH1A1 (0.69) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL21098369 0.81 SMN1; SMN2 (0.89) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7038359 0.81 MAPT (0.64) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL15084278 0.80 SMN1; SMN2 (0.70) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12330491 0.80 MEN1 (0.70) CYP19A1SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL95881 0.78 SMN1; SMN2 (0.78) CYP19A1SMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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