SCHEMBL12407803

SCHEMBL12407803

Cc1sc2cc(-c3ccc(-c4ccccc4)cc3-c3ccccc3)ccc2c1C1=C(c2c(C)sc3cc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)ccc23)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL6232782 0.92 LIMK1 (0.36) ABCB1LIMK1PTPN1
SCHEMBL6232786 0.81 ROCK1 (0.38) LIMK1PTPN1
SCHEMBL3870600 0.80 RARA (0.40) LIMK1
SCHEMBL1535945 0.80 PGR (0.32) —
SCHEMBL20024254 0.76 PLA2G10 (0.36) —
SCHEMBL25013345 0.75 LIMK1 (0.43) ABCB1LIMK1PTPN1
SCHEMBL27537480 0.75 LIMK1 (0.34) ABCB1LIMK1PTPN1
SCHEMBL27601259 0.75 SREBF2 (0.39) —
SCHEMBL19361388 0.74 BCL2L1 (0.36) —
SCHEMBL392860 0.74 GPR3 (0.39) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8274727-B1 Programmable optical label HRL LABORATORIES, LLC (US) 2012-09-25 — — US disclosed
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