SCHEMBL7712510

SCHEMBL7712510

CC(C)C(CO)Nc1nc(N2CCC(c3nc(-c4ccncc4)no3)CC2)nc2c1[S+]([O-])CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 9/20 0.44
▸ LMNA P02545 5/20 0.44
▸ TSHR P16473 3/20 0.44
▸ GAA P10253 4/20 0.39
▸ HTT P42858 4/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL187438 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHRGAAHTT
Trifluoroacetic Acid SCHEMBL975654 0.94 SMN1; SMN2 (0.43) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL12921313 0.93 TUBB4A (0.40) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL8054262 0.91 PPARA (0.42) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL975655 0.88 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL10266952 0.86 CCR5 (0.32) EPHX2
SCHEMBL373806 0.86 TP53 (0.32) SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL17180853 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNATSHRGAAHTT
SCHEMBL8060081 0.85 GPR119 (0.36) CNR2CYP3A4CYP2C19EPHX2KCNH2
SCHEMBL8054741 0.83 CNR2 (0.40) SMN1; SMN2LMNATSHRGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP claimed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 — — EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 — — EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 — — EP disclosed
WO-2011124525-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4 INHIBITORS AND EP4 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-13 — — WO disclosed
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