SCHEMBL4383470

SCHEMBL4383470

CN(C)S(=O)(=O)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
DAO P14920 1/20 0.36
MAOB P27338 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
Oxalic Acid SCHEMBL7991431 0.94 SMN1; SMN2 (0.45) LMNAALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL8795290 0.85 ALDH1A1 (0.41) LMNAALDH1A1L3MBTL1CA12CA1
SCHEMBL4379847 0.80 HTR2A (0.42) LMNAALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL7987297 0.78 HRH3 (0.54) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4380966 0.78 NQO1 (0.45) LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL7991433 0.76 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL4386689 0.75 LMNA (0.45) LMNAALDH1A1SMN1; SMN2HTTRAB9A
SCHEMBL7961327 0.75 RAB9A (0.43) LMNAALDH1A1HTTRAB9AHTR2A
SCHEMBL4376187 0.75 L3MBTL1 (0.59) LMNAALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL7988365 0.74 MEN1 (0.48) LMNAALDH1A1SMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed