SCHEMBL6216208

SCHEMBL6216208

O=C[N+](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ LMNA P02545 4/20 0.43
▸ CYP2A6 P11509 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ADH1B P00325 1/20 0.32
▸ ADH1C P00326 1/20 0.32
▸ ADH1A P07327 1/20 0.32

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
SCHEMBL9621672 0.72 ALDH1A1 (0.40) ALDH1A1LMNACYP2A6TDP1MEN1
SCHEMBL15970600 0.71 ALDH1A1 (0.41) ALDH1A1LMNATDP1NFE2L2CYP3A4
SCHEMBL786960 0.65 ALDH1A1 (0.50) ALDH1A1LMNACYP2A6TDP1MEN1
Nitrobenzene SCHEMBL31346759 0.64 ALDH1A1 (0.76) ALDH1A1LMNATDP1MEN1KMT2A
SCHEMBL451030 0.63 ALDH1A1 (0.47) ALDH1A1LMNACYP2A6TDP1CYP3A4
Nitrobenzene SCHEMBL1330714 0.61 — —
Nitrobenzene SCHEMBL9669095 0.61 — —
Nitrobenzene SCHEMBL2358164 0.61 ALDH1A1 (1.00) ALDH1A1LMNATDP1MEN1KMT2A
Nitrobenzene SCHEMBL2255264 0.61 ALDH1A1 (1.00) ALDH1A1LMNATDP1MEN1KMT2A
Nitrobenzene SCHEMBL15525745 0.61 ALDH1A1 (1.00) ALDH1A1LMNATDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424942-A4 PORPHYRINS WITH ENHANCED MULTI-PHOTON ABSORPTION CROSS-SECTIONS FOR PHOTODYNAMIC THERAPY UNIV MONTANA STATE (US) 2005-11-23 — — EP disclosed
EP-1424942-A1 PORPHYRINS WITH ENHANCED MULTI-PHOTON ABSORPTION CROSS-SECTIONS FOR PHOTODYNAMIC THERAPY Montana State University-Bozeman (US) 2004-06-09 — — EP disclosed
WO-2003017846-A1 PORPHYRINS WITH ENHANCED MULTI-PHOTON ABSORPTION CROSS-SECTIONS FOR PHOTODYNAMIC THERAPY MONTANA STATE UNIVERSITY-BOZEMAN (US) 2003-03-06 — — WO disclosed
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