SCHEMBL7445153

SCHEMBL7445153

CCCCc1csc(NC(=O)CN2CCC(NCC(O)C3COc4ccccc4O3)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTA4H P09960 9/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
AIMP2 Q13155 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7440732 0.93 MAPT (0.38) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7434334 0.88 CCR2 (0.40) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7440389 0.88 MEN1 (0.47) MAPTMAPK1LMNASMN1; SMN2LTA4H
SCHEMBL7437033 0.85 LMNA (0.37) MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL10994263 0.81 ALDH1A1 (0.41) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7443888 0.80 POLB (0.48) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7447128 0.80 RAB9A (0.52) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL7436396 0.80 AIMP2 (0.42) MAPTMAPK1LMNASMN1; SMN2NPSR1
SCHEMBL7446182 0.79 CCR2 (0.40) MAPK1LMNANPSR1ALDH1A1MEN1
SCHEMBL7445143 0.79 POLB (0.42) MAPTLMNASMN1; SMN2NPSR1ALDH1A1

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