SCHEMBL4379847

SCHEMBL4379847

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
KCNH2 Q12809 2/20 0.42
HTR2C P28335 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL8795290 0.93 ALDH1A1 (0.41) KCNH2L3MBTL1LMNACA12CA1
SCHEMBL7961327 0.89 RAB9A (0.43) HTR2AKCNH2LMNAHTTMEN1
SCHEMBL7987248 0.82 HRH3 (0.47) LMNAHRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7987288 0.80 MAOB (0.38) HTR2ALMNAHTTKDM4ESMN1; SMN2
SCHEMBL4383470 0.80 LMNA (0.45) HTR2AHTR2CL3MBTL1LMNAHTT
Oxalic Acid SCHEMBL7991431 0.75 SMN1; SMN2 (0.45) HTR2AHTR2CL3MBTL1LMNAHTT
SCHEMBL4380966 0.75 NQO1 (0.45) KCNH2LMNAMEN1KMT2AHRH3
SCHEMBL7987297 0.75 HRH3 (0.54) KCNH2L3MBTL1LMNAMEN1KMT2A
SCHEMBL7977252 0.74 NOS1 (0.47) KCNH2MAOB
SCHEMBL4384169 0.74 ALDH1A1 (0.48) KCNH2L3MBTL1LMNACA9MEN1

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 3 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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed