SCHEMBL11258128

SCHEMBL11258128

CC(=O)OCCCCCOC(=O)c1cc(Br)c(N)c(CN2CCCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.40
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ TRPV1 Q8NER1 5/20 0.35
▸ HTR4 Q13639 5/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BCHE P06276 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
SCHEMBL11262800 0.99 SLC29A1 (0.39) SLC29A1PKMHPGDTRPV1HTR4
SCHEMBL11266856 0.99 SLC29A1 (0.40) SLC29A1PKMHPGDTRPV1HTR4
SCHEMBL11262907 0.96 SLC29A1 (0.38) SLC29A1PKMHPGDTRPV1HTR4
SCHEMBL11255897 0.95 HPGD (0.38) SLC29A1PKMHPGDTRPV1HTR4
SCHEMBL11270416 0.93 EPHX2 (0.40) SLC29A1PKMALDH1A1KMT2APOLB
SCHEMBL11261238 0.92 EPHX2 (0.40) SLC29A1PKMALDH1A1KMT2APOLB
SCHEMBL11269348 0.89 EPHX2 (0.40) ALDH1A1KMT2APOLB
SCHEMBL11259600 0.86 NPSR1 (0.34) MEN1ALDH1A1CYP2D6KMT2ABCHE
SCHEMBL11261972 0.85 TP53 (0.35) HPGDMEN1KMT2A
SCHEMBL11265822 0.85 NPSR1 (0.34) MEN1ALDH1A1CYP2D6KMT2ABCHE

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-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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