SCHEMBL31310782

SCHEMBL31310782

CCCCC=C(C#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ APP P05067 1/20 0.39
▸ CES2 O00748 3/20 0.39
▸ CES1 P23141 3/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37

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
SCHEMBL2768791 0.95 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL2767621 0.95 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL13990397 0.95 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31284893 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31285494 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31284710 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31285016 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31285033 0.93 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL3174321 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A
SCHEMBL3174317 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1MAPTRAB9A

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-4481022-A1 FRAGRANCE INGREDIENTS Givaudan SA (CH) 2024-12-25 — — EP disclosed
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