SCHEMBL8490672

SCHEMBL8490672

NC(=O)c1cccc(NC(=O)OCCOC(=O)Nc2cccc(C(N)=O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
RAB9A P51151 4/20 0.61
LMNA P02545 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
PARP1 P09874 11/20 0.54
PARP10 Q53GL7 10/20 0.54
PARP15 Q460N3 5/20 0.54
PARP14 Q460N5 4/20 0.54
MGLL Q99685 1/20 0.54

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
SCHEMBL832082 0.92 RAB9A (0.64) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL29687812 0.92 RAB9A (0.64) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL699298 0.91 HPGD (0.58) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL20169847 0.88 SMN1; SMN2 (0.65) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL882828 0.86 RAB9A (0.72) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL882953 0.84 MGLL (0.68) RAB9AMGLL
SCHEMBL882949 0.84 MEN1 (0.54) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL7309848 0.83 PARP1 (0.64) RAB9AMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL23303388 0.82 RAB9A (0.53) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL23303389 0.82 RAB9A (0.53) HPGDRAB9ALMNAMEN1KMT2A

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-1999047494-A1 NOVEL BIS-BENZAMIDE DERIVATIVES, METHOD FOR MAKING SAME PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE THEREOF AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-09-23 WO disclosed