SCHEMBL19003349

SCHEMBL19003349

O=C(/C=C/c1ccc(Br)s1)Nc1ccc(-n2cnnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
ATF4 P18848 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
XDH P47989 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGFR P00533 1/20 0.42
KCNJ1 P48048 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19003257 0.79 KDM4E (0.49) KDM4EHTTL3MBTL1RAB9AMEN1
SCHEMBL19003248 0.77 LMNA (0.56) KDM4EHTTL3MBTL1RAB9AMEN1
SCHEMBL19003250 0.76 MAPT (0.51) KDM4EHTTL3MBTL1RAB9AMEN1
SCHEMBL19003283 0.75 RAB9A (0.52) KDM4EHTTRAB9AMEN1KMT2A
SCHEMBL19003243 0.74 MAPT (0.61) KDM4ERAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19003244 0.73 MAOB (0.51) KDM4EHTTRAB9AMEN1KMT2A
SCHEMBL19003274 0.73 MMP1 (0.58) KDM4EHTTRAB9AMEN1KMT2A
SCHEMBL19003264 0.73 NR4A1 (0.56) HTTL3MBTL1RAB9AMEN1KMT2A
SCHEMBL19003253 0.73 MAOB (0.56) HTTL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL19003249 0.72 EGFR (0.42) HTTL3MBTL1RAB9AMEN1KMT2A

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