SCHEMBL2924153

SCHEMBL2924153

[CH2]C(C)(C)C[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 6/20 0.34
PKM P14618 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
FKBP1A P62942 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKLR P30613 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
HSD11B1 P28845 1/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 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
SCHEMBL2922801 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2921489 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2924793 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2925030 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2914012 0.94 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2921320 0.93 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL5510122 0.93 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2921316 0.93 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2916927 0.93 SMN1; SMN2 (0.34) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL2915710 0.93 SMN1; SMN2 (0.35) SMN1; SMN2MAPTCYP2C9CYP3A4CYP2C19

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-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed