SCHEMBL18985229

SCHEMBL18985229

CCCOc1ccc(CCNC(=O)/C=C/c2ccc(Br)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NDUFS8 O00217 1/20 0.47
COXFA4 O00483 1/20 0.47
NDUFAB1 O14561 1/20 0.47
NDUFA1 O15239 1/20 0.47
NDUFS4 O43181 1/20 0.47
NDUFB5 O43674 1/20 0.47
NDUFB3 O43676 1/20 0.47
NDUFC1 O43677 1/20 0.47
NDUFA2 O43678 1/20 0.47
NDUFS5 O43920 1/20 0.47
NDUFS7 O75251 1/20 0.47
NDUFS2 O75306 1/20 0.47

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
SCHEMBL18985197 0.82 MEN1 (0.55) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL447661 0.78 SMN1; SMN2 (0.50) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL447662 0.78 SMN1; SMN2 (0.50) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4251119 0.77 SMN1; SMN2 (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19003362 0.77 RAB9A (0.46) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL19003307 0.73 EGFR (0.60) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19003313 0.73 SAE1 (0.46) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL19003358 0.72 EGFR (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19414167 0.71 MAPT (0.62) MAPTRAB9ASMN1; SMN2NDUFS8COXFA4
SCHEMBL12001375 0.69 ACACB (0.80) ACACBMAPTNPC1RAB9ASMN1; SMN2

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
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO claimed
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed