SCHEMBL11548842

SCHEMBL11548842

CN(C)C(=O)Nc1ccc2c(c1)OC(c1ccccc1)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.46
PNPLA2 Q96AD5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC7 O00311 1/20 0.40
EEF2K O00418 1/20 0.40
PLK4 O00444 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ROS1 P08922 1/20 0.40
PIM1 P11309 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL11549604 0.88 APEX1 (0.44) APEX1PNPLA2HDAC6TSHREPHX2
SCHEMBL11550401 0.87 TSHR (0.57) APEX1PNPLA2HDAC6TSHREPHX2
SCHEMBL11549818 0.82 POLB (0.43) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL11553389 0.81 APEX1 (0.52) APEX1PNPLA2HDAC6TSHRTP53
SCHEMBL3423738 0.76 SMN1; SMN2 (0.51) TSHRTP53NPC1RAB9ASMN1; SMN2
SCHEMBL11548245 0.72 APEX1 (0.44) APEX1TSHRTP53EPHX2NPC1
SCHEMBL13956804 0.71 ALDH1A1 (0.46) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11548778 0.71 EPHX2 (0.72) TP53EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11554395 0.70 POLB (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL5923355 0.70 RAB9A (0.41) TSHRNPC1RAB9ASMN1; SMN2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4155915-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-22 US claimed
US-4155915-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed