SCHEMBL9703381

SCHEMBL9703381

CCN(CC)c1ccc(N2CCN(Cc3cc(O)ccc3O)CC2)nc1N(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
BACE1 P56817 1/20 0.36
ACHE P22303 2/20 0.34
CACNA1B Q00975 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GFER P55789 1/20 0.34
MPO P05164 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9701522 0.88 GAA (0.45) LMNATSHRALDH1A1KDM4EERCC1
SCHEMBL9688189 0.80 LMNA (0.40) LMNAHPGDALOX15TSHRALDH1A1
SCHEMBL9689577 0.79 LMNA (0.43) LMNAHPGDALOX15TSHRALDH1A1
SCHEMBL9227255 0.72 HRH3 (0.33) ALDH1A1HRH3
SCHEMBL9689529 0.71 CASP1 (0.59) LMNAHPGDALOX15TSHRSMN1; SMN2
SCHEMBL9073389 0.71 HTR3E (0.44) HPGDALDH1A1KDM4EMAPK1HRH3
SCHEMBL9689269 0.69 GAA (0.45) LMNAHPGDALOX15TSHRALDH1A1
SCHEMBL9689527 0.67 L3MBTL1 (0.48) LMNAHPGDALOX15TSHRALDH1A1
SCHEMBL1550059 0.65 ALDH1A1 (0.50) LMNAHPGDALOX15ALDH1A1KDM4E
SCHEMBL9704351 0.64 LMNA (0.40) LMNAHPGDALOX15TSHRALDH1A1

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-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed