SCHEMBL9192519

SCHEMBL9192519

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
TSHR P16473 1/20 0.62
MERTK Q12866 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
PDE7A Q13946 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 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
SCHEMBL10714746 0.91 MEN1 (0.54) MAPK1TSHRMERTKCA1CA2
SCHEMBL9362733 0.90 TSHR (0.51) MAPK1TSHRMERTKCA1CA2
SCHEMBL10509625 0.88 TSHR (0.50) MAPK1TSHRMERTKCA1CA2
SCHEMBL11152258 0.86 TSHR (0.61) MAPK1TSHRMERTKCA1CA2
SCHEMBL25254710 0.86 TSHR (0.47) MAPK1TSHRMERTKCA1CA2
SCHEMBL1629413 0.85 MAPK1 (0.58) MAPK1TSHRMERTKCA1CA2
SCHEMBL30310607 0.85 MAPK1 (0.58) MAPK1TSHRMERTKCA1CA2
SCHEMBL2033404 0.84 TSHR (0.50) MAPK1TSHRMERTKCA1CA2
SCHEMBL30317918 0.84 TSHR (0.50) MAPK1TSHRMERTKCA1CA2
SCHEMBL28489639 0.84 TSHR (0.50) MAPK1TSHRMERTKCA1CA2

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 9 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-0325892-B1 PROCESS FOR THE PREPARATION OF HALOGENATED PRIMARY AMINES CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed
WO-1992015919-A1 LIQUID CRYSTAL ALIGNING AGENT AND ALIGNING AGENT-APPLIED LIQUID CRYSTAL DISPLAY DEVICE JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-09-17 WO 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
EP-0473552-A1 Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY AG (CH) 1992-03-04 EP disclosed
US-4960936-A Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0325892-A2 Process for the preparation of halogenated primary amines CIBA-GEIGY AG (CH) 1989-08-02 EP disclosed