SCHEMBL17180853

SCHEMBL17180853

CC(C)[C@@H](CO)c1nc(N2CCC(c3nc(-c4ccncc4)no3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.46
▸ LMNA P02545 5/20 0.46
▸ TSHR P16473 3/20 0.46
▸ CNR2 P34972 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 4/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33

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
SCHEMBL7712510 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRCNR2CYP1A2
SCHEMBL187438 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRCNR2CYP1A2
SCHEMBL19547562 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNATSHRCNR2CYP1A2
SCHEMBL15976703 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRCNR2CYP1A2
SCHEMBL19560023 0.81 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRCNR2CYP1A2
Trifluoroacetic Acid SCHEMBL975654 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRCNR2KDM4E
SCHEMBL8054741 0.79 CNR2 (0.40) SMN1; SMN2LMNATSHRCNR2CYP1A2
SCHEMBL12921313 0.79 TUBB4A (0.40) SMN1; SMN2LMNATSHRCNR2GAA
SCHEMBL8054262 0.77 PPARA (0.42) SMN1; SMN2LMNATSHRCNR2KDM4E
SCHEMBL975655 0.77 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRCNR2CYP1A2

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-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 — — EP claimed
Send feedback