SCHEMBL29315848

SCHEMBL29315848

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37

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
SCHEMBL29315843 1.00 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315850 0.99 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315835 0.96 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315836 0.92 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315826 0.87 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315840 0.87 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315762 0.87 KDM4E (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315761 0.87 KDM4E (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315830 0.86 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315759 0.86 KDM4E (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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