SCHEMBL7430532

SCHEMBL7430532

CCCCc1ccc(NC(=O)CN2CCC(NCC(O)C3COc4cc(SC)ccc4O3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 8/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL10995442 0.89 KMT2A (0.44) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL7440389 0.89 MEN1 (0.47) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL7434317 0.85 POLB (0.46) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL7437133 0.84 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL7430526 0.83 SPHK1 (0.30)
SCHEMBL7446165 0.83 TSHR (0.43) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL7445143 0.82 POLB (0.42) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL7440717 0.80 POLB (0.45) KMT2AMEN1SMN1; SMN2LMNAGAA
SCHEMBL7495736 0.80 TSHR (0.49) KMT2AMEN1LMNAGAAHTT
SCHEMBL7437024 0.79 LMNA (0.45) KMT2AMEN1SMN1; SMN2LMNAGAA

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed