SCHEMBL19150902

SCHEMBL19150902

CCc1ccc2c(c1)C(=O)/C(=C/N(C)C)CCN2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SRD5A1 P18405 1/20 0.35
▸ GABRA1 P14867 4/20 0.35
▸ GABRA5 P31644 4/20 0.35
▸ GABRG2 P18507 3/20 0.33
▸ GABRB3 P28472 3/20 0.33
▸ GABRA3 P34903 3/20 0.33
▸ GABRA2 P47869 3/20 0.33
▸ GABRA6 Q16445 3/20 0.33
▸ GABRB2 P47870 2/20 0.33

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
SCHEMBL19151284 0.79 MEN1 (0.51) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL7233462 0.78 ACHE (0.44) ALDH1A1MAPTSMN1; SMN2NPC1LMNA
SCHEMBL7234187 0.78 ACHE (0.44) ALDH1A1MAPTSMN1; SMN2NPC1LMNA
SCHEMBL3161782 0.77 SRD5A1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1LMNA
SCHEMBL20614927 0.74 KDM4E (0.38) ALDH1A1MAPTSMN1; SMN2NPC1LMNA
SCHEMBL20614745 0.72 MEN1 (0.38) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL8278297 0.71 SRD5A1 (0.36) ALDH1A1MAPTSMN1; SMN2NPC1LMNA
SCHEMBL9540647 0.69 LMNA (0.39) ALDH1A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL9540652 0.69 LMNA (0.39) ALDH1A1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL18359192 0.68 SRD5A1 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1LMNA

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
WO-2017123884-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2017-07-20 — — WO disclosed
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