SCHEMBL11271891

SCHEMBL11271891

CC(=O)OCCCCOC(=O)c1cc(Br)c(N)c(CNC2CCCCC2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL11259321 0.99 HTT (0.35) HTTMEN1KMT2AABL1POLB
SCHEMBL11265822 0.87 NPSR1 (0.34) MEN1KMT2ACYP1A2CYP2D6KDM4E
SCHEMBL11270376 0.87 ABCB11 (0.42) HTTMEN1KMT2APOLBLMNA
SCHEMBL11259600 0.86 NPSR1 (0.34) MEN1KMT2ACYP1A2CYP2D6KDM4E
SCHEMBL11264866 0.86 ABCB11 (0.41) HTTMEN1KMT2APOLBLMNA
Benzophenone SCHEMBL11265560 0.86 LMNA (0.39) HTTMEN1KMT2AABL1POLB
SCHEMBL11256440 0.85 TP53 (0.32) HTTMEN1KMT2ALMNACYP1A2
SCHEMBL11262177 0.85 TP53 (0.32) HTTMEN1KMT2ALMNACYP1A2
SCHEMBL11269492 0.85 TP53 (0.32) HTTMEN1KMT2ALMNACYP2D6
SCHEMBL11273749 0.85 TP53 (0.32) HTTMEN1KMT2ALMNACYP2D6

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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