SCHEMBL11261658

SCHEMBL11261658

CCN(CC)Cc1cc(C(=O)OCCCCCCOC(C)=O)cc(Br)c1N.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BCHE P06276 6/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL11271775 1.00 TP53 (0.37) TP53MAPTSMN1; SMN2LMNATSHR
SCHEMBL11271896 0.99 TP53 (0.38) TP53MAPTSMN1; SMN2LMNATSHR
SCHEMBL11265476 0.98 TP53 (0.38) TP53MAPTSMN1; SMN2LMNATSHR
SCHEMBL11266928 0.96 TSHR (0.36) TP53MAPTSMN1; SMN2LMNATSHR
SCHEMBL11271322 0.94 TSHR (0.41) TP53MAPTSMN1; SMN2LMNATSHR
SCHEMBL11261972 0.92 TP53 (0.35) TP53MAPTSMN1; SMN2LMNAESR1
SCHEMBL11268609 0.91 MAPT (0.35) TP53MAPTSMN1; SMN2LMNAESR1
SCHEMBL11255511 0.90 SMN1; SMN2 (0.36) TP53MAPTSMN1; SMN2LMNAESR1
SCHEMBL11263417 0.89 SMN1; SMN2 (0.37) TP53MAPTSMN1; SMN2LMNA
SCHEMBL11266953 0.89 SMN1; SMN2 (0.36) TP53MAPTSMN1; SMN2LMNAESR1

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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