SCHEMBL29173263

SCHEMBL29173263

CC(Br)CCCOc1ccc(C(C)(C)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 8/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
HTT P42858 2/20 0.53
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.46

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
SCHEMBL9787289 0.84 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL29173237 0.84 KCNA3 (0.58) ALDH1A1TDP1LMNA
SCHEMBL27558783 0.81 LSS (0.56) MAPT
SCHEMBL8672714 0.78 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL4745368 0.78 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL18714175 0.78 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL29173300 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL12218765 0.78 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL18614940 0.78 KDM4E (0.66) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A
SCHEMBL13641412 0.77 SMN1; SMN2 (0.70) SMN1; SMN2KDM4EALDH1A1TDP1KMT2A

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
CN-117702142-A C (C) 4 Process for preparing substituted pyridine derivatives 五邑大学 2024-03-15 CN disclosed