SCHEMBL9503446

SCHEMBL9503446

CCCCCCC(C)(c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
HSPB1 P04792 1/20 0.45
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
TBXA2R P21731 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9503342 0.89 HSPB1 (0.50) MGLLHSPB1MAPK1MAPTMEN1
SCHEMBL6361875 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL6362740 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL5179113 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL4339280 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL4328660 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL3141298 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL4330091 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL5179603 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL6363490 0.79 MAPT (0.57) MAPK1MAPTNPC1RAB9AALDH1A1

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
EP-0282254-B1 DIAMINO COMPOUNDS AND LIQUID CRYSTAL ALIGNING FILMS CHISSO CORPORATION (JP) 1993-06-16 EP disclosed
US-5084557-A Polyimides based on a 2,2-bis/p-/p-aminophenoxy/phenylalkane; a high pretilt angle for supertwisting nematic mode display cells CHISSO CORPORATION (JP) 1992-01-28 US disclosed
US-4864008-A POLYIMIDE MONOMERS CHISSO CORPORATION (JP) 1989-09-05 US disclosed
EP-0282254-A2 Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1988-09-14 EP disclosed