SCHEMBL5509003

SCHEMBL5509003

O=C(NC1(C(=O)Nc2ccc(N3CCOCCC3=O)c(Cl)c2)CSC1)Oc1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL5504674 0.94 F10 (0.47) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5505128 0.93 F10 (0.48) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5509410 0.92 F10 (0.47) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5506981 0.92 F10 (0.47) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5502700 0.91 F10 (0.48) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5503069 0.91 F10 (0.46) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5509734 0.91 F10 (0.46) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5502075 0.89 F10 (0.42) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5514504 0.89 F10 (0.46) F10MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL5500483 0.89 F10 (0.44) F10MAPTSMN1; SMN2RAB9AALDH1A1

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
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed