SCHEMBL2004178

SCHEMBL2004178

COc1cc(Br)ccc1[C@@H](C)N[S+]([O-])C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LPAR1 Q92633 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KRAS P01116 1/20 0.31
SOS1 Q07889 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27080410 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30178826 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27080411 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21405088 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29984888 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29838208 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21405086 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21459051 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21459049 1.00 LMNA (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29138197 0.89 CYP2D6 (0.43) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed