SCHEMBL6232782

SCHEMBL6232782

Cc1sc2cc(-c3ccccc3)ccc2c1C1=C(c2c(C)sc3cc(-c4ccccc4)ccc23)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.36
▸ PIK3CA P42336 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ ABCB1 P08183 1/20 0.32
▸ F9 P00740 2/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL12407803 0.92 ABCB1 (0.33) LIMK1ABCB1PTPN1
SCHEMBL6232786 0.89 ROCK1 (0.38) LIMK1PIK3CAPI4KAPI4KBACLY
SCHEMBL3870600 0.88 RARA (0.40) LIMK1PIK3CAPI4KAPI4KB
SCHEMBL25013345 0.82 LIMK1 (0.43) LIMK1PIK3CAPI4KAPI4KBACLY
SCHEMBL27537480 0.82 LIMK1 (0.34) LIMK1PIK3CAPI4KAPI4KBACLY
SCHEMBL27601259 0.82 SREBF2 (0.39) —
SCHEMBL19361388 0.81 BCL2L1 (0.36) MCL1
SCHEMBL392860 0.81 GPR3 (0.39) PTPN1
SCHEMBL29492999 0.81 GPR3 (0.39) PTPN1
SCHEMBL3877999 0.78 RARA (0.40) LIMK1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8444450-B2 Method for alternately expressing color-memorizing photochromic function in toy element, and an alternately color-memorizing photochromic toy THE PILOT INK CO., LTD. (JP) 2013-05-21 — — US disclosed
EP-1415692-B1 Method of changing color of a toy and colour changing toy PILOT INK CO LTD (JP) 2005-05-04 — — EP disclosed
US-20040135097-A1 Method for alternately expressing color-memorizing photochromic function in toy element, and an alternately color-memorizing photochromic toy THE PILOT INK CO., LTD. 2004-07-15 — — US disclosed
EP-1415692-A1 Method of changing color of a toy and colour changing toy THE PILOT INK CO., LTD. (JP) 2004-05-06 — — EP disclosed
Send feedback