SCHEMBL11259692

SCHEMBL11259692

CC(=O)OCCCCOC(=O)c1cc(Br)c(N)c(CN(C)Cc2ccccc2)c1.Clc1cccc(Cl)c1Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SIGMAR1 Q99720 5/20 0.33
▸ TMEM97 Q5BJF2 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TSHR P16473 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
SCHEMBL11263417 0.99 SMN1; SMN2 (0.37) SMN1; SMN2HPGDKDM4EALDH1A1NPY1R
SCHEMBL11268609 0.92 MAPT (0.35) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL11266953 0.91 SMN1; SMN2 (0.36) SMN1; SMN2HPGDMAPTTP53LMNA
SCHEMBL11261972 0.91 TP53 (0.35) SMN1; SMN2HPGDMAPTTP53LMNA
SCHEMBL11255511 0.91 SMN1; SMN2 (0.36) SMN1; SMN2HPGDALDH1A1MAPTTP53
SCHEMBL11271896 0.89 TP53 (0.38) SMN1; SMN2HPGDMAPTTP53LMNA
SCHEMBL11260654 0.88 HPGD (0.33) SMN1; SMN2HPGDKDM4EALDH1A1MAPT
SCHEMBL11261658 0.88 TP53 (0.37) SMN1; SMN2MAPTTP53LMNATSHR
SCHEMBL11271775 0.88 TP53 (0.37) SMN1; SMN2MAPTTP53LMNATSHR
SCHEMBL11265476 0.87 TP53 (0.38) SMN1; SMN2HPGDMAPTTP53LMNA

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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