SCHEMBL11255897

SCHEMBL11255897

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.38
▸ TRPV1 Q8NER1 6/20 0.38
▸ SLC29A1 Q99808 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR4 Q13639 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL11262907 0.99 SLC29A1 (0.38) HPGDTRPV1SLC29A1KMT2ANPSR1
SCHEMBL11262800 0.96 SLC29A1 (0.39) HPGDTRPV1SLC29A1KMT2ANPSR1
SCHEMBL11266856 0.96 SLC29A1 (0.40) HPGDTRPV1SLC29A1KMT2ANPSR1
SCHEMBL11258128 0.95 SLC29A1 (0.40) HPGDTRPV1SLC29A1KMT2AHTR4
SCHEMBL11269348 0.92 EPHX2 (0.40) KMT2ANPSR1
SCHEMBL11261238 0.89 EPHX2 (0.40) SLC29A1KMT2ANPSR1PKM
SCHEMBL11270416 0.88 EPHX2 (0.40) SLC29A1KMT2ANPSR1PKM
SCHEMBL11260654 0.84 HPGD (0.33) HPGDKMT2A
Benzophenone SCHEMBL11261404 0.84 KMT2A (0.39) SLC29A1KMT2ANPSR1PKM
SCHEMBL11267024 0.83 TTR (0.46) KMT2A

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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