SCHEMBL7436389

SCHEMBL7436389

CSc1ccccc1NC(=O)CN1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ATM Q13315 2/20 0.45
AIMP2 Q13155 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7434317 0.87 POLB (0.46) MAPTSMN1; SMN2ATMAIMP2MEN1
SCHEMBL7443888 0.86 POLB (0.48) MAPTSMN1; SMN2MAPK1ALDH1A1NPSR1
SCHEMBL7447128 0.85 RAB9A (0.52) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7436396 0.85 AIMP2 (0.42) MAPTSMN1; SMN2AIMP2MAPK1ALDH1A1
SCHEMBL7436669 0.84 ALDH1A1 (0.52) MAPTSMN1; SMN2AIMP2ALDH1A1NPSR1
SCHEMBL7440028 0.84 LMNA (0.49) MAPTSMN1; SMN2KMT2AMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL7444391 0.83 ALDH1A1 (0.52) MAPTSMN1; SMN2AIMP2ALDH1A1NPSR1
SCHEMBL7447235 0.83 AIMP2 (0.48) MAPTSMN1; SMN2AIMP2MEN1KMT2A
SCHEMBL7439415 0.83 POLB (0.49) MAPTSMN1; SMN2ATMAIMP2MAPK1
SCHEMBL7435451 0.83 RAB9A (0.51) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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