SCHEMBL3988840

SCHEMBL3988840

CC(C)(CO)CCCNC(=O)Oc1sc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.46
BRD4 O60885 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
IKBKB O14920 1/20 0.40
PTPN5 P54829 1/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HIF1A Q16665 1/20 0.39
UQCRB P14927 2/20 0.38
NR1I2 O75469 1/20 0.37

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
SCHEMBL4098217 0.90 SERPINE1 (0.50) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3983400 0.88 SERPINE1 (0.49) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3982665 0.88 SERPINE1 (0.47) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3981944 0.87 SERPINE1 (0.49) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3983571 0.85 SERPINE1 (0.45) SERPINE1ALDH1A1CYP1A2POLBCYP2D6
SCHEMBL3983573 0.84 SERPINE1 (0.51) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3981129 0.84 SERPINE1 (0.46) SERPINE1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL3985810 0.80 SERPINE1 (0.49) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3986748 0.79 SERPINE1 (0.47) SERPINE1BRD4MEN1ALDH1A1KMT2A
SCHEMBL3982486 0.79 SERPINE1 (0.45) SERPINE1BRD4MEN1ALDH1A1KMT2A

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
EP-1888058-B1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-05-20 EP claimed