SCHEMBL29640617

SCHEMBL29640617

CCOC(=O)c1cn(C)c2cc(Br)ccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRB2 P47870 1/20 0.54
BAZ2B Q9UIF8 1/20 0.48
BAZ2A Q9UIF9 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TBK1 Q9UHD2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PIM1 P11309 1/20 0.45
IRAK1 P51617 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45
CAMK2D Q13557 1/20 0.45
PIM3 Q86V86 1/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL5780551 1.00 LMNA (0.65) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL6753157 0.91 LMNA (0.55) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3003325 0.86 LMNA (0.67) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL3768764 0.86 LMNA (0.82) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL10341233 0.86 GABRA1 (0.53) LMNAGABRA1GABRB2BAZ2BBAZ2A
SCHEMBL2995302 0.85 LMNA (0.66) LMNAGABRA1GABRB1GABRA3GABRB2
SCHEMBL6050608 0.85 KMT2A (0.49) LMNABAZ2BBAZ2AALDH1A1TDP1
SCHEMBL11524392 0.85 LMNA (0.49) LMNABAZ2BBAZ2AALDH1A1SMN1; SMN2
SCHEMBL2998174 0.85 MAP2K2 (0.52) LMNABAZ2BBAZ2AALDH1A1SMN1; SMN2
SCHEMBL6050613 0.85 BAZ2B (0.54) LMNABAZ2BBAZ2AALDH1A1TDP1

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