SCHEMBL12132328

SCHEMBL12132328

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL11976578 0.87 RAB9A (0.41) RAB9ANPC1HRH4ABCG2TP53
SCHEMBL12132330 0.86 MAPT (0.39) RAB9ANPC1ABCG2TP53SMN1; SMN2
SCHEMBL12132323 0.86 RAB9A (0.40) RAB9ANPC1HRH4HRH3ABCG2
SCHEMBL12132333 0.86 RAB9A (0.40) RAB9ANPC1HRH4ABCG2TP53
SCHEMBL12132336 0.84 CNR2 (0.37) HRH4HRH3TP53SMN1; SMN2GSK3B
SCHEMBL23604787 0.84 ABCG2 (0.47) RAB9ANPC1ABCG2L3MBTL1TP53
SCHEMBL10316740 0.82 PTGER4 (0.38) RAB9ANPC1ABCG2L3MBTL1TP53
SCHEMBL21515579 0.82 ABCG2 (0.41) RAB9ANPC1ABCG2L3MBTL1TP53
SCHEMBL12033743 0.82 ABCG2 (0.41) RAB9ANPC1ABCG2L3MBTL1TP53
SCHEMBL12033588 0.81 ABCG2 (0.42) RAB9ANPC1ABCG2L3MBTL1TP53

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-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
US-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
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