SCHEMBL8722219

SCHEMBL8722219

Cc1[nH]c2ccccc2c1-c1ccc(C[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.52
▸ PDE9A O76083 2/20 0.45
▸ PTGS2 P35354 6/20 0.45
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PDE1C Q14123 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ AHR P35869 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
SCHEMBL6988913 0.81 IMPDH2 (0.56) IMPDH2PTGS2MAPTMEN1KMT2A
SCHEMBL4074043 0.76 MAPT (0.56) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16169793 0.75 IMPDH2 (0.69) IMPDH2PDE9APTGS2MAPTMEN1
SCHEMBL17383846 0.75 IMPDH2 (0.73) IMPDH2PDE9APTGS2MAPTMEN1
SCHEMBL27701196 0.72 IMPDH2 (0.65) IMPDH2PTGS2MAPTMEN1KMT2A
SCHEMBL8722197 0.72 IMPDH2 (0.65) IMPDH2PTGS2MAPTMEN1KMT2A
SCHEMBL6986423 0.72 IMPDH2 (0.65) IMPDH2PTGS2MAPTMEN1KMT2A
SCHEMBL4607984 0.72 ESR1 (0.69) IMPDH2PTGS2MAPTMEN1KMT2A
SCHEMBL28643376 0.72 IMPDH2 (0.59) IMPDH2PDE9APTGS2MAPTMEN1
SCHEMBL31370167 0.71 SLC7A5 (0.51) IMPDH2PTGS2MAPTMEN1KMT2A

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-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 — — US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 — — US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 — — US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 — — US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 — — US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 — — US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 — — US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 — — US disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 — — US disclosed
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