SCHEMBL7436396

SCHEMBL7436396

Cc1sccc1NC(=O)CN1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.37
LTA4H P09960 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MAPK10 P53779 2/20 0.37

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
SCHEMBL7447128 0.85 RAB9A (0.52) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL7436389 0.85 MAPT (0.45) AIMP2SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7436669 0.84 ALDH1A1 (0.52) AIMP2SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7434334 0.84 CCR2 (0.40) AIMP2SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7443888 0.84 POLB (0.48) SMN1; SMN2LMNAMAPTNPSR1POLB
Hydrochloric Acid SCHEMBL7444391 0.84 ALDH1A1 (0.52) AIMP2SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7447235 0.84 AIMP2 (0.48) AIMP2SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7435451 0.83 RAB9A (0.51) SMN1; SMN2LMNAMAPTNPSR1TDP1
SCHEMBL7433767 0.82 DRD4 (0.53) ALDH1A1
Acetic Acid SCHEMBL7435033 0.82 ALDH1A1 (0.50) SMN1; SMN2LMNAMAPTNPSR1TDP1

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