SCHEMBL18976219

SCHEMBL18976219

C=C/C=C\c1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL19426931 0.84 GAA (0.36) GAAPLA2G7HSD17B10SMN1; SMN2MAPT
SCHEMBL24703487 0.64 GRIN2D (0.47) MAPTALDH1A1KMT2AMEN1
SCHEMBL8780920 0.64 GAA (0.46) GAAPLA2G7HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL16751345 0.62 CA12 (0.32) HSD17B10ALDH1A1CYP1A2
SCHEMBL25708983 0.62 ALDH1A1 (0.34) GAAHSD17B10SMN1; SMN2MAPTALDH1A1
SCHEMBL91340 0.62 ALDH1A1 (0.45) GAAPLA2G7HSD17B10SMN1; SMN2MAPT
SCHEMBL17083422 0.61 ALDH1A1 (0.42) GAAPLA2G7HSD17B10SMN1; SMN2MAPT
SCHEMBL22521692 0.61 LGMN (0.32) —
SCHEMBL19157808 0.60 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL219172 0.60 ALDH1A1 (0.44) PLA2G7HSD17B10SMN1; SMN2MAPTALDH1A1

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
EP-3013814-B1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-14 — — EP disclosed
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