SCHEMBL29315751

SCHEMBL29315751

C=CC(=O)OCCOC(=O)c1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 6/20 0.44
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 2/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL29315754 0.96 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315753 0.95 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315755 0.95 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315729 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315756 0.85 KDM4E (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315819 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315737 0.84 KDM4E (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315731 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315757 0.83 KDM4E (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315733 0.83 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed