SCHEMBL20847981

SCHEMBL20847981

CC(C)(N)c1cccc(-c2nc3ccc(-c4ccc5[nH]c(C(C)(C)N)nc5c4)cc3[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.50
▸ SCN10A Q9Y5Y9 2/20 0.50
▸ MEN1 O00255 5/20 0.45
▸ POLB P06746 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ USP2 O75604 2/20 0.45
▸ BLM P54132 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ PKM P14618 3/20 0.44

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
SCHEMBL9915005 0.86 HDAC6 (0.49) KCNH2SCN10AMEN1POLBKMT2A
SCHEMBL13890377 0.83 CYP3A4 (0.45) KCNH2MEN1POLBKMT2ANPC1
SCHEMBL13564112 0.81 CYP3A4 (0.43) KCNH2MEN1POLBKMT2ANPC1
SCHEMBL13873244 0.81 CYP3A4 (0.43) KCNH2MEN1POLBKMT2ANPC1
SCHEMBL26357523 0.80 HDAC6 (0.51) KCNH2SCN10AMEN1POLBKMT2A
SCHEMBL14271001 0.77 PDPK1 (0.41) KCNH2MEN1POLBKMT2ANPC1
SCHEMBL19292362 0.77 HDAC6 (0.46) SCN10AMEN1POLBKMT2ANPC1
SCHEMBL14354941 0.76 HDAC6 (0.45) KCNH2SCN10ANPC1RAB9ASMN1; SMN2
SCHEMBL26358087 0.76 HDAC6 (0.60) KCNH2SCN10AMEN1POLBKMT2A
SCHEMBL17867450 0.76 ALDH1A1 (0.71) MEN1POLBKMT2ANPC1RAB9A

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
EP-2459545-B1 EPOXIDATION PROCESS SOUTH BANK UNIV ENTERPRISES LIMITED (GB) 2019-03-27 — — EP disclosed
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