SCHEMBL29168432

SCHEMBL29168432

Cc1cccc(CN2CCNCC2)c1.Cc1ccccc1CN1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
SIGMAR1 Q99720 1/20 0.54
KMT2A Q03164 3/20 0.50
CHRM3 P20309 1/20 0.50
CYP2A13 Q16696 1/20 0.49
CLPP Q16740 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
ACHE P22303 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL29756483 0.89 SIGMAR1 (0.62) LMNASIGMAR1KMT2ACHRM3ALDH1A1
SCHEMBL593734 0.89 SIGMAR1 (0.62) LMNASIGMAR1KMT2ACHRM3ALDH1A1
Hydrochloric Acid SCHEMBL2923966 0.87 SIGMAR1 (0.61) LMNASIGMAR1KMT2ACHRM3ALDH1A1
SCHEMBL593284 0.85 LMNA (0.96) LMNASIGMAR1KMT2ACYP2A13ALDH1A1
Hydrochloric Acid SCHEMBL7417639 0.84 LMNA (1.00) LMNASIGMAR1KMT2ACYP2A13ALDH1A1
Hydrochloric Acid SCHEMBL2924720 0.84 LMNA (1.00) LMNASIGMAR1KMT2ACYP2A13ALDH1A1
SCHEMBL4108665 0.84 LMNA (0.62) LMNASIGMAR1KMT2ACHRM3CYP2A13
SCHEMBL28849168 0.83 CXCR4 (0.64) SIGMAR1KMT2ACHRM3ALDH1A1KDM4E
SCHEMBL29863040 0.83 CXCR4 (0.64) SIGMAR1KMT2ACHRM3ALDH1A1KDM4E
SCHEMBL17308185 0.81 MEN1 (0.56) LMNASIGMAR1KMT2ACHRM3ALDH1A1

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
CN-117487047-A Phosphonic acid functionalized polymer, multifunctional styrene polymer and application thereof 国家电投集团氢能科技发展有限公司 2024-02-02 CN disclosed
CN-117362485-A Hydroxymethyl functionalized vinyl polymers, multifunctional polymers and uses thereof 国家电投集团氢能科技发展有限公司 2024-01-09 CN disclosed