SCHEMBL19689478

SCHEMBL19689478

C[n+]1ccc(-c2cc[n+](-c3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.61
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ SLC22A3 O75751 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KIF11 P52732 2/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ EIF4H Q15056 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ENPP2 Q13822 1/20 0.35
▸ QDPR P09417 1/20 0.35

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
SCHEMBL4325064 0.90 MMP3 (0.46) HDAC8KIF11CYP2A6MMP3ALDH1A1
Bromide SCHEMBL10597082 0.88 MMP3 (0.45) HDAC8KIF11CYP2A6MMP3ALDH1A1
Hydrochloric Acid SCHEMBL2463206 0.88 MMP3 (0.45) HDAC8KIF11CYP2A6MMP3ALDH1A1
SCHEMBL16433677 0.84 SLC6A4 (0.56) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL6660002 0.83 KIF11 (0.41) HDAC8KIF11CYP2A6MMP3ALDH1A1
SCHEMBL6660004 0.81 KIF11 (0.40) HDAC8KIF11CYP2A6MMP3ALDH1A1
Hydrochloric Acid SCHEMBL11601600 0.80 CYP11B2 (0.43) HDAC8KIF11MMP3PABPC1APOBEC3A
Bromide SCHEMBL20544131 0.80 CYP2A6 (0.43) HDAC8KIF11CYP2A6MMP3ALDH1A1
Hydrochloric Acid SCHEMBL11503645 0.79 CYP11B2 (0.42) KIF11MMP3PABPC1APOBEC3AEIF4H
SCHEMBL12287094 0.77 MMP3 (0.36) HDAC8KIF11CYP2A6MMP3ALDH1A1

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-3221420-B1 PHOTOCHROMIC-ELECTROCHROMIC COMPOSITIONS SWITCH MAT INC (CA) 2021-02-17 — — EP disclosed
US-10647913-B2 Photochromic-electrochromic compositions SWITCH MATERIALS INC. (CA) 2020-05-12 — — US disclosed
US-20170355901-A1 PHOTOCHROMIC-ELECTROCHROMIC COMPOSITIONS SOLUTIA CANADA INC. (CA) 2017-12-14 — — US disclosed
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