SCHEMBL29315835

SCHEMBL29315835

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 6/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 1/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL29315850 0.97 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315843 0.96 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315848 0.96 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315836 0.94 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315757 0.86 KDM4E (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315830 0.86 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315832 0.86 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315840 0.85 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315826 0.85 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL29315819 0.83 NPC1 (0.51) 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