SCHEMBL28267709

SCHEMBL28267709

COC(=O)c1ccc2c(c1)c1ccccc1n2C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SCARB1 Q8WTV0 1/20 0.51
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49

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
SCHEMBL13011202 0.93 ALDH1A1 (0.51) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL13011205 0.93 ALDH1A1 (0.51) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL13635205 0.93 ALDH1A1 (0.51) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL13011285 0.88 NPY5R (0.53) ALDH1A1SCARB1GABRPGABRDGABRA1
SCHEMBL4726848 0.84 KDM4E (0.58) ALDH1A1NPSR1MEN1KMT2AOGFRL1
SCHEMBL3805093 0.83 ALDH1A1 (0.43) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL3805090 0.82 KIF11 (0.42) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL3779471 0.81 SCARB1 (0.45) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL3767133 0.81 SCARB1 (0.45) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1
SCHEMBL3767138 0.81 SCARB1 (0.45) ALDH1A1ATMSMN1; SMN2NPSR1SCARB1

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-109206360-A Carbazole amide derivatives or its salt and its preparation method and application 复旦大学 2019-01-15 CN disclosed