SCHEMBL19003264

SCHEMBL19003264

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
MAPT P10636 14/20 0.54
LMNA P02545 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
HTT P42858 3/20 0.48
RECQL P46063 1/20 0.46
EGFR P00533 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 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
SCHEMBL19003250 0.85 MAPT (0.51) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL19003248 0.83 LMNA (0.56) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL19003274 0.82 MMP1 (0.58) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL19003283 0.81 RAB9A (0.52) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL19003257 0.80 KDM4E (0.49) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL19003350 0.80 ALDH1A1 (0.47) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL3048659 0.80 MAPT (0.59) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL3048661 0.80 MAPT (0.59) MAPTLMNASMN1; SMN2TP53ALDH1A1
SCHEMBL19003244 0.79 MAOB (0.51) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL19003253 0.79 MAOB (0.56) MAPTLMNASMN1; SMN2MEN1KMT2A

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