SCHEMBL19003260

SCHEMBL19003260

CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Br)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
MAPT P10636 7/20 0.67
NPC1 O15118 7/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MAPK1 P28482 4/20 0.67
CASP3 P42574 3/20 0.67
SENP7 Q9BQF6 3/20 0.67
SENP8 Q96LD8 2/20 0.67
SENP6 Q9GZR1 2/20 0.67
KDM4E B2RXH2 3/20 0.55
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL19003307 0.83 EGFR (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19003248 0.83 LMNA (0.56) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19003301 0.82 MAPT (0.65) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19003283 0.81 RAB9A (0.52) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19003257 0.80 KDM4E (0.49) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL5310226 0.80 MAPT (1.00) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL5310230 0.80 MAPT (1.00) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19003250 0.80 MAPT (0.51) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19003274 0.79 MMP1 (0.58) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL18985197 0.79 MEN1 (0.55) RAB9AMAPTNPC1MEN1KMT2A

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 1 patent. 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 disclosed