SCHEMBL26610945

SCHEMBL26610945

N=Cc1cccc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ LOXL2 Q9Y4K0 3/20 0.48
▸ NOS1 P29475 7/20 0.40
▸ NOS2 P35228 7/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ NOS3 P29474 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ ST14 Q9Y5Y6 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NCF1 P14598 1/20 0.37

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
SCHEMBL8502323 0.83 TAAR1 (0.52) PNMTLOXL2NOS1NOS2NOS3
SCHEMBL31482273 0.78 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL27258056 0.78 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL14530040 0.78 TP53 (0.42) ALDH1A1SMN1; SMN2KIF11
SCHEMBL434206 0.78 MAOA (0.49) PNMTENPP2LOXL2PRMT6ALDH1A1
SCHEMBL29812994 0.78 MAOA (0.49) PNMTENPP2LOXL2PRMT6ALDH1A1
SCHEMBL3281973 0.78 PNMT (0.48) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28170014 0.78 PNMT (0.44) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL13206794 0.77 TPSAB1 (0.55) CYP3A4
SCHEMBL11307358 0.77 CALM1 (0.50) LOXL2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119331220-A Xylylene diisocyanate composition, xylylene diisocyanate modified composition, polymerizable composition, resin, molded article, optical element, and lens 三井化学株式会社 2025-01-21 — — CN disclosed
CN-114787230-B Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, polymerizable composition, and resin 三井化学株式会社 2024-11-08 — — CN disclosed
EP-4414774-A2 XYLYLENE DIISOCYANATE COMPOSITION, XYLYLENE DIISOCYANATE MODIFIED COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL ELEMENT, AND LENS Mitsui Chemicals, Inc. (JP) 2024-08-14 — — EP disclosed
EP-4089071-B1 XYLYLENE DIISOCYANATE COMPOSITION, MODIFIED XYLYLENE DIISOCYANATE COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL ELEMENT, AND LENS MITSUI CHEMICALS INC (JP) 2024-08-07 — — EP disclosed
US-20230340183-A1 XYLYLENE DIISOCYANATE COMPOSITION, XYLYLENE DIISOCYANATE MODIFIED COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED ARTICLE, OPTICAL ELEMENT, AND LENS MITSUI CHEMICALS, INC. (JP) 2023-10-26 — — US disclosed
EP-4089071-A1 XYLYLENE DIISOCYANATE COMPOSITION, MODIFIED XYLYLENE DIISOCYANATE COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL ELEMENT, AND LENS Mitsui Chemicals, Inc. (JP) 2022-11-16 — — EP disclosed
WO-2022162968-A1 XYLYLENE DIISOCYANATE COMPOSITION, MODIFIED XYLYLENE DIISOCYANATE COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL ELEMENT, AND LENS 三井化学株式会社 2022-08-04 — — WO disclosed
CN-114787230-A Xylylene diisocyanate composition, xylylene diisocyanate modified composition, polymerizable composition, resin, molded body, optical element, and lens 三井化学株式会社 2022-07-22 — — CN disclosed
Send feedback