SCHEMBL12132323

SCHEMBL12132323

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PTAFR P25105 1/20 0.36
▸ TP53 P04637 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ ATM Q13315 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) RAB9ANPC1HRH4TP53POLB
SCHEMBL23604787 0.87 ABCG2 (0.47) RAB9ANPC1TP53ABCG2SMN1; SMN2
SCHEMBL12132333 0.86 RAB9A (0.40) RAB9ANPC1HRH4TP53ABCG2
SCHEMBL12132328 0.86 RAB9A (0.40) RAB9ANPC1HRH4HRH3TP53
SCHEMBL25000880 0.83 ABCG2 (0.47) RAB9ANPC1TP53ABCG2SMN1; SMN2
SCHEMBL24028698 0.83 ABCG2 (0.42) RAB9ANPC1TP53ABCG2SMN1; SMN2
SCHEMBL24900374 0.82 HTR1D (0.37) RAB9ANPC1PTGES2SMN1; SMN2
SCHEMBL30175730 0.82 HTR1D (0.37) RAB9ANPC1PTGES2SMN1; SMN2
SCHEMBL21515579 0.82 ABCG2 (0.41) RAB9ANPC1TP53ABCG2SMN1; SMN2
SCHEMBL12033743 0.82 ABCG2 (0.41) RAB9ANPC1TP53ABCG2SMN1; SMN2

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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