SCHEMBL19237245

SCHEMBL19237245

Brc1ccc2c(c1)-c1ccccc1Cc1ccccc1-c1ccccc1C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
CHEK2 O96017 1/20 0.49
ROS1 P08922 1/20 0.49
MARK3 P27448 1/20 0.49
LTK P29376 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
AURKB Q96GD4 1/20 0.49
PBK Q96KB5 1/20 0.49
STK17A Q9UEE5 1/20 0.49

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
SCHEMBL1806266 1.00 L3MBTL1 (0.56) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23542831 1.00 L3MBTL1 (0.56) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17313628 0.94 L3MBTL1 (0.56) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
Sulfur Dioxide SCHEMBL17313639 0.92 L3MBTL1 (0.54) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29466104 0.91 ALDH1A1 (0.59) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL415882 0.91 ALDH1A1 (0.59) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29780658 0.91 ALDH1A1 (0.59) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
Fluorene SCHEMBL15453329 0.91 ALDH1A1 (0.59) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL665105 0.89 ALDH1A1 (0.57) L3MBTL1TDP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29812691 0.89 CHEK2 (0.57) L3MBTL1TDP1CHEK2ROS1MARK3

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-2017133829-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-08-10 WO disclosed