SCHEMBL19003358

SCHEMBL19003358

CCCOc1ncc(NC(=O)/C=C/c2ccc(Br)s2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 8/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 7/20 0.40
LMNA P02545 6/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 6/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.84 MEN1 (0.55) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL19003362 0.81 RAB9A (0.46) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL19003307 0.77 EGFR (0.60) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL19003313 0.74 SAE1 (0.46) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL19003250 0.73 MAPT (0.51) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL19003260 0.73 RAB9A (0.67) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL19003274 0.72 MMP1 (0.58) EGFRMEN1KMT2AMAPTKDM4E
SCHEMBL19003364 0.72 KDR (0.49) EGFRMAPTKDM4ENPC1LMNA
SCHEMBL18985229 0.72 ACACB (0.50) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL19003248 0.71 LMNA (0.56) EGFRMEN1KMT2AMAPTKDM4E

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