SCHEMBL4618697

SCHEMBL4618697

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc(C(=O)NCCN4CCOCC4)c(-c4ccccc4)c3c2)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(C(=O)NCCCN4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3983675 0.92 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9AMAPK1HIF1A
SCHEMBL3983700 0.91 LMNA (0.48) ALDH1A1KMT2AMEN1CYP1A2POLB
SCHEMBL3982872 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL3983571 0.82 SERPINE1 (0.45) ALDH1A1CYP1A2POLBCYP2D6CYP2C9
SCHEMBL3981129 0.80 SERPINE1 (0.46) ALDH1A1KMT2AMEN1CYP1A2POLB
SCHEMBL3948275 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL3982797 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL3982665 0.78 SERPINE1 (0.47) ALDH1A1KMT2AMEN1CYP1A2POLB
SCHEMBL4087564 0.78 SERPINE1 (0.51) ALDH1A1KMT2AMEN1CYP1A2POLB
SCHEMBL3943840 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP1A2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888058-A2 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE Bayer Schering Pharma Aktiengesellschaft (DE) 2008-02-20 EP claimed
WO-2006131398-A2 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-14 WO claimed