SCHEMBL9392496

SCHEMBL9392496

C/C(O)=C(\C#N)C(=O)NCCC1=CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPT P10636 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL9392506 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTTAAR1KMT2A
SCHEMBL12717314 0.77 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2MAPTTAAR1HPGD
SCHEMBL9391023 0.74 KDM4E (0.59) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6318345 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTTAAR1KMT2A
SCHEMBL9391013 0.74 KDM4E (0.59) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7783342 0.74 EPHX1 (0.73) ALDH1A1SMN1; SMN2MAPTTAAR1KMT2A
SCHEMBL9395784 0.73 PLAAT3 (0.55) ALDH1A1SMN1; SMN2KMT2AHPGDNPC1
SCHEMBL9395867 0.73 KDM4E (0.46) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9395862 0.73 KDM4E (0.46) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9395775 0.73 PLAAT3 (0.55) ALDH1A1SMN1; SMN2KMT2AHPGDNPC1

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
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO claimed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO disclosed
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