SCHEMBL19003469

SCHEMBL19003469

O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1ccc(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
TRPM2 O94759 1/20 0.49
TP53 P04637 3/20 0.48
LMNA P02545 7/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.45
NR2F2 P24468 1/20 0.45
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.43
ALOX12 P18054 2/20 0.43
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL19003351 0.83 LMNA (0.50) EGFRTRPM2LMNAALDH1A1SMN1; SMN2
SCHEMBL19003298 0.80 EGFR (0.49) EGFRTRPM2TP53ALDH1A1SMN1; SMN2
SCHEMBL19003460 0.74 GAA (0.59) EGFRLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL19003305 0.74 MMP1 (0.63) EGFRTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL19003459 0.73 CXCR1 (0.51) TRPM2TP53LMNAALDH1A1SMN1; SMN2
SCHEMBL18985289 0.72 MAOB (0.64) EGFRTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL18985528 0.72 NQO2 (0.56) EGFRTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL19003466 0.72 NQO2 (0.56) EGFRTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL19003303 0.71 MAOB (0.52) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL19003456 0.71 MAPT (0.48) EGFRTP53LMNAALDH1A1SMN1; 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 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