SCHEMBL11262800

SCHEMBL11262800

CC(=O)OCCCCCOC(=O)c1cc(Br)c(N)c(CN2CCCCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.39
▸ HPGD P15428 1/20 0.36
▸ TRPV1 Q8NER1 5/20 0.36
▸ HTR4 Q13639 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 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
SCHEMBL11258128 0.99 SLC29A1 (0.40) SLC29A1HPGDTRPV1HTR4KMT2A
SCHEMBL11266856 0.98 SLC29A1 (0.40) SLC29A1HPGDTRPV1HTR4KMT2A
SCHEMBL11255897 0.96 HPGD (0.38) SLC29A1HPGDTRPV1HTR4KMT2A
SCHEMBL11262907 0.95 SLC29A1 (0.38) SLC29A1HPGDTRPV1HTR4KMT2A
SCHEMBL11270416 0.92 EPHX2 (0.40) SLC29A1KMT2AALDH1A1PKMNPSR1
SCHEMBL11261238 0.92 EPHX2 (0.40) SLC29A1KMT2AALDH1A1PKMNPSR1
SCHEMBL11269348 0.88 EPHX2 (0.40) KMT2AALDH1A1NPSR1
SCHEMBL11259600 0.85 NPSR1 (0.34) KMT2AMEN1ALDH1A1CYP2D6NPSR1
SCHEMBL11261972 0.85 TP53 (0.35) HPGDKMT2AMEN1
SCHEMBL11259321 0.85 HTT (0.35) KMT2AMEN1ALDH1A1CYP3A4CYP2D6

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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