SCHEMBL27451677

SCHEMBL27451677

CCCN(C/C=C/C(=O)N1CCCC(C)C1)CCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
JAK3 P52333 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL27451704 0.85 ALDH1A1 (0.51) POLBMEN1MAPTKMT2AHPGD
SCHEMBL10283866 0.85 ALDH1A1 (0.51) POLBMEN1MAPTKMT2AHPGD
SCHEMBL19353252 0.85 ALDH1A1 (0.51) POLBMEN1MAPTKMT2AHPGD
SCHEMBL10241495 0.85 ALDH1A1 (0.51) POLBMEN1MAPTKMT2AHPGD
SCHEMBL462693 0.82 HPGD (0.46) POLBMEN1MAPTKMT2AHPGD
SCHEMBL24348777 0.81 ALDH1A1 (0.47) POLBMEN1MAPTKMT2AHPGD
SCHEMBL18904853 0.77 JAK3 (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23547437 0.77 JAK3 (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27451749 0.77 JAK3 (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18909618 0.77 JAK3 (0.43) HPGDALDH1A1SMN1; SMN2NPC1RAB9A

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-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed