SCHEMBL29315832

SCHEMBL29315832

C=C(C)C(=O)OCCCOC(=O)c1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
HPGD P15428 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL29315830 0.98 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315840 0.97 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315826 0.97 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315819 0.96 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315789 0.86 KDM4E (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315835 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315850 0.85 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315785 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315803 0.84 KDM4E (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL29315799 0.83 KDM4E (0.58) 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