SCHEMBL29640631

SCHEMBL29640631

Cn1cc(C(=O)O)c(=O)c2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
CDK2 P24941 1/20 0.46
MAP2K1 Q02750 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MCL1 Q07820 1/20 0.41
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
S1PR1 P21453 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL23362197 1.00 LMNA (0.48) LMNACDK2MAP2K1KMT2AMEN1
SCHEMBL1096533 0.91 CDK2 (0.49) LMNACDK2MAP2K1KMT2AMEN1
SCHEMBL18589519 0.88 LMNA (0.54) LMNAMAP2K1KMT2AMEN1MCL1
SCHEMBL13798311 0.84 LMNA (0.50) LMNACDK2KMT2AMEN1KDM4E
SCHEMBL11402828 0.83 LMNA (0.49) LMNAKMT2AMEN1KDM4ES1PR1
SCHEMBL3663507 0.82 KMT2A (0.55) LMNACDK2KMT2AMEN1MYC
SCHEMBL28114450 0.82 LMNA (0.40) LMNAKMT2AMEN1MYCNR4A1
SCHEMBL23497662 0.81 MYC (0.38) LMNACDK2KMT2AMEN1MYC
SCHEMBL29744413 0.81 MYC (0.38) LMNACDK2KMT2AMEN1MYC
SCHEMBL5780551 0.81 LMNA (0.65) LMNACDK2KMT2AMEN1RXFP1

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
CN-114641477-B Compounds having inhibitory activity on glucosylceramide synthase or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-03-12 CN disclosed
CN-114641477-A Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same 柳韩洋行 2022-06-17 CN disclosed