SCHEMBL9125502

SCHEMBL9125502

Cn1ncc(N2CCN(C/C=C/c3ccccc3)CC2)c(Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
BCL2A1 Q16548 1/20 0.45
MAPT P10636 2/20 0.45
TRPC5 Q9UL62 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9125507 1.00 ALDH1A1 (0.47) ALDH1A1PKMNPC1SMN1; SMN2BCL2A1
SCHEMBL9125451 0.83 MAPT (0.41) MAPT
SCHEMBL9125443 0.83 MAPT (0.41) MAPT
SCHEMBL9674128 0.74 SLC6A2 (0.49) ALDH1A1NPC1SMN1; SMN2BCL2A1MAPT
SCHEMBL9736113 0.74 SLC6A2 (0.49) ALDH1A1NPC1SMN1; SMN2BCL2A1MAPT
SCHEMBL2547161 0.73 ALDH1A1 (0.60) ALDH1A1PKMNPC1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL9123748 0.73 MEN1 (0.50) ALDH1A1PKMNPC1SMN1; SMN2BCL2A1
Hydrochloric Acid SCHEMBL9123750 0.73 MEN1 (0.50) ALDH1A1PKMNPC1SMN1; SMN2BCL2A1
SCHEMBL2550526 0.72 ALDH1A1 (0.58) ALDH1A1PKMNPC1SMN1; SMN2LMNA
SCHEMBL2579539 0.71 LMNA (0.72) ALDH1A1SMN1; SMN2MAPTLMNATSHR

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-5395934-A Antiarrhythmia agents and cardiovascular disorders EGIS GYOGYSZERGYAR (HU) 1995-03-07 US disclosed