SCHEMBL11269348

SCHEMBL11269348

CC(=O)OCCOC(=O)c1cc(Br)c(N)c(CN2CCOCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CYP2A13 Q16696 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL11261238 0.97 EPHX2 (0.40) EPHX2L3MBTL1TP53EGFRERBB2
SCHEMBL11270416 0.96 EPHX2 (0.40) EPHX2L3MBTL1TP53EGFRERBB2
SCHEMBL11262907 0.93 SLC29A1 (0.38) POLBNPSR1KMT2A
SCHEMBL11255897 0.92 HPGD (0.38) NPSR1KMT2A
SCHEMBL11266856 0.90 SLC29A1 (0.40) POLBNPSR1KMT2AALDH1A1
SCHEMBL11258128 0.89 SLC29A1 (0.40) POLBKMT2AALDH1A1
SCHEMBL11262800 0.88 SLC29A1 (0.39) NPSR1KMT2AALDH1A1
Benzophenone SCHEMBL11262001 0.84 L3MBTL1 (0.42) L3MBTL1MAPTHTTSMN1; SMN2NPSR1
SCHEMBL11171100 0.84 TTR (0.45) KMT2AHIF1ACYP2A13LMNAFTO
SCHEMBL11260654 0.83 HPGD (0.33) TP53MAPTSMN1; SMN2KDM4EKMT2A

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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