SCHEMBL30979375

SCHEMBL30979375

CN1CCN(CC(=O)Nc2ccc(N/C(=C3\C(=O)Nc4cc(Br)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.44
ABCB1 P08183 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL4481915 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL4481917 0.90 SMN1; SMN2 (0.55) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL4493659 0.90 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL4493658 0.90 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL2572200 0.89 TSHR (0.52) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL2572203 0.89 TSHR (0.52) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL30979368 0.89 SMN1; SMN2 (0.47) SMN1; SMN2LMNAGAAMEN1KMT2A
SCHEMBL4487341 0.88 FAAH (0.44) GAAMEN1KMT2ARAB9AEGFR
SCHEMBL4487333 0.88 FAAH (0.44) GAAMEN1KMT2ARAB9AEGFR
SCHEMBL30979381 0.88 AAK1 (0.47) SMN1; SMN2LMNAGAAMAPT

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
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed