SCHEMBL17996978

SCHEMBL17996978

Cc1cccc(-[n+]2ccc(-c3cc[n+](-c4cccc(C(F)(F)F)c4)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ PTPN5 P54829 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 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
SCHEMBL10005293 0.90 TSHR (0.44) MEN1KMT2ATSHRMAPK1CES2
Hydrochloric Acid SCHEMBL14937435 0.89 TSHR (0.42) TSHRMAPK1CES2MGLLKIF11
SCHEMBL17996987 0.79 RAPGEF4 (0.38) RAPGEF4IKBKBKIF11
SCHEMBL16563098 0.76 KIF11 (0.46) RAB9ABCHEACHEHSD17B10KIF11
Hydrochloric Acid SCHEMBL27498900 0.76 TSHR (0.44) MEN1HTTRAB9AKMT2AKCNK3
SCHEMBL148048 0.75 NFE2L2 (0.55) MEN1HTTRAB9AKMT2AKCNK3
Hydrochloric Acid SCHEMBL16563223 0.75 KIF11 (0.49) HTTRAB9ABCHEACHEHSD17B10
SCHEMBL20358991 0.74 KIF11 (0.45) BCHEACHEKIF11
SCHEMBL29772530 0.74 KIF11 (0.45) BCHEACHEKIF11
SCHEMBL19441759 0.74 RXRA (0.40) TSHRCES2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 — — US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 — — US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 — — US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 — — US disclosed
US-20160282694-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-09-29 — — US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 — — US disclosed
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