SCHEMBL19789870

SCHEMBL19789870

CCOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
ALDH1A1 P00352 4/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
LMNA P02545 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
NPC1 O15118 4/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 3/20 0.57
HPGD P15428 3/20 0.57
TP53 P04637 2/20 0.57
GUSB P08236 1/20 0.54
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 2/20 0.53
LTA4H P09960 1/20 0.52
POLB P06746 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51

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
SCHEMBL15665939 0.82 ALDH1A1 (0.70) KDM4EALDH1A1LMNANPSR1NPC1
SCHEMBL9152440 0.81 LTA4H (0.68) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL30167681 0.81 LTA4H (0.68) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL12726668 0.81 LTA4H (0.68) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL12676876 0.81 MEN1 (0.51) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL15056743 0.80 KDM4E (1.00) KDM4EALDH1A1L3MBTL1LMNATDP1
Ammonia Solution, Strong SCHEMBL7174107 0.79 LTA4H (0.65) KDM4EALDH1A1TDP1NPC1MAPT
SCHEMBL30063503 0.79 KDM4E (0.62) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL19229538 0.79 KDM4E (0.62) KDM4EALDH1A1L3MBTL1LMNATDP1
SCHEMBL13950894 0.79 KDM4E (0.78) KDM4EALDH1A1L3MBTL1LMNATDP1

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
EP-2393787-B1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2018-01-24 EP disclosed