SCHEMBL9200645

SCHEMBL9200645

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(Br)c2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
HTT P42858 1/20 0.50
CYP19A1 P11511 1/20 0.45
AAK1 Q2M2I8 1/20 0.44
MAPT P10636 6/20 0.41
LMNA P02545 2/20 0.41
MERTK Q12866 1/20 0.41
CYP3A4 P08684 2/20 0.40
HSPB1 P04792 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSB P07858 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR7 P34969 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2138411 0.91 TDP1 (0.47) ALDH1A1HTTCYP19A1MAPTLMNA
SCHEMBL15541404 0.87 PIN1 (0.52) ALDH1A1HTTMAPTTDP1SMN1; SMN2
SCHEMBL30199709 0.86 ALDH1A1 (0.53) ALDH1A1HTTMAPTMERTKTDP1
SCHEMBL228082 0.86 ALDH1A1 (0.53) ALDH1A1HTTMAPTMERTKTDP1
SCHEMBL31118246 0.85 ALDH1A1 (0.42) ALDH1A1HTTCYP19A1AAK1MAPT
SCHEMBL30317919 0.84 ALDH1A1 (0.44) ALDH1A1HTTMAPTLMNACYP3A4
SCHEMBL28496451 0.84 ALDH1A1 (0.44) ALDH1A1HTTMAPTLMNACYP3A4
SCHEMBL19886590 0.82 CYP19A1 (0.41) ALDH1A1HTTCYP19A1AAK1MAPT
SCHEMBL21617079 0.81 HSPB1 (0.55) ALDH1A1HTTMAPTLMNAHSPB1
SCHEMBL4543292 0.81 ALDH1A1 (0.64) ALDH1A1HTTMAPTLMNACYP3A4

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-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US claimed
EP-0503918-B1 Liquid crystal aligning agent and aligning agent-applied liquid crystal display device JAPAN SYNTHETIC RUBBER CO LTD (JP) 1995-12-27 EP disclosed
US-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US disclosed
EP-0503918-A1 Liquid crystal aligning agent and aligning agent-applied liquid crystal display device JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-09-16 EP disclosed