SCHEMBL20160764

SCHEMBL20160764

CCC(N)c1ccc(-c2ccc(-c3ccc(C#N)cc3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.43
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ NSD2 O96028 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ APP P05067 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 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
SCHEMBL23665906 0.86 SLC6A4 (0.39) KIF11NSD2SCN10ASLC6A4CTSL
SCHEMBL18458495 0.83 KIF11 (0.41) KIF11PDE3BPDE3AAPPCYP3A4
SCHEMBL18458493 0.83 KIF11 (0.41) KIF11PDE3BPDE3AAPPCYP3A4
SCHEMBL20160766 0.83 CYP2C19 (0.38) APPCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL18458496 0.82 SLC6A4 (0.38) APPCYP3A4CYP2C9CYP2C19SLC6A4
SCHEMBL18458826 0.82 AKR1C3 (0.41) APPCYP3A4CYP2C9CYP2C19SLC6A4
SCHEMBL18458747 0.82 AKR1C3 (0.41) APPCYP3A4CYP2C9CYP2C19SLC6A4
SCHEMBL397141 0.81 KIF11 (0.61) KIF11PDE3BPDE3ANSD2RORC
SCHEMBL18901804 0.80 APP (0.36) KIF11APPCYP3A4CYP2C9CYP2C19
SCHEMBL15157661 0.80 SLC6A4 (0.52) SLC6A4GRIA1GRIA2GRIA3GRIA4

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
US-11174431-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-11-16 — — US disclosed
US-10975304-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-04-13 — — US disclosed
US-10913895-B2 Liquid crystal composition and liquid crystal display device DIC CORPORATION (JP) 2021-02-09 — — US disclosed
US-10913896-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2021-02-09 — — US disclosed
US-10752838-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2020-08-25 — — US disclosed
US-20180171229-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2018-06-21 — — US disclosed
US-20180171234-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-06-21 — — US disclosed
US-20180134961-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-05-17 — — US disclosed
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