Sugi Predict

Sugi Predict / Compounds / SCHEMBL15430276

SCHEMBL15430276

SCHEMBL15430276

CC(C)(C)c1cccc2c1sc1c(-c3cccc(-c4ccc5c(c4)c4ccccc4c4nccn54)c3)cccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.33
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 2/20 0.32
▸ TACR1 P25103 2/20 0.31
▸ LIMK1 P53667 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
SCHEMBL15430259 0.89 LIMK1 (0.39) ALOX5TACR1LIMK1
SCHEMBL15430279 0.88 TACR1 (0.32) TACR1
SCHEMBL15430270 0.87 CLK4 (0.34) ALOX5TACR1LIMK1
SCHEMBL15405088 0.87 ALOX5 (0.46) ALOX5TACR1LIMK1
SCHEMBL15405596 0.87 ALOX5 (0.46) ALOX5TACR1LIMK1
SCHEMBL15430222 0.86 ALOX5 (0.46) ALOX5TACR1LIMK1
SCHEMBL15430228 0.85 ALOX5 (0.46) ALOX5TACR1LIMK1
SCHEMBL15430225 0.84 ALOX5 (0.43) ALOX5TACR1LIMK1
SCHEMBL15430226 0.83 ALOX5 (0.42) ALOX5TACR1LIMK1
SCHEMBL15430347 0.83 PRKDC (0.33) ALOX5NR1H2NR1H3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140014930-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-01-16 — — US disclosed
US-20140014930-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-01-16 — — US disclosed