SCHEMBL19003281

SCHEMBL19003281

O=C(/C=C/c1ccc(-c2cccnc2)s1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
BLM P54132 1/20 0.54
NAMPT P43490 2/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
HDAC3 O15379 2/20 0.48
ABL1 P00519 2/20 0.48
PDGFRB P09619 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL19003456 0.88 MAPT (0.48) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL19003315 0.81 MAOB (0.50) RAB9ANPC1MAPTSMN1; SMN2CNR1
SCHEMBL18985206 0.79 TP53 (0.67) BLMRAB9ANPC1HDAC3HDAC4
SCHEMBL19003464 0.76 EGFR (0.53) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18985289 0.75 MAOB (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18985314 0.75 MAPT (0.56) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL19003280 0.73 MAPT (0.52) NAMPTNPC1HDAC1HDAC8MAPT
SCHEMBL18985281 0.72 NAMPT (0.49) KDRNAMPTHDAC3ABL1PDGFRB
SCHEMBL28015940 0.72 KDR (1.00) KDRBLMRAB9ANPC1MAPT
SCHEMBL19003467 0.70 PORCN (0.54) RAB9ANPC1HDAC4SMN1; SMN2ALDH1A1

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