SCHEMBL7434220

SCHEMBL7434220

COc1ccc2c(c1)OCC(C(O)CNC1CCN(CC(=O)Nc3cccc(Cl)c3)CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
ALOX15 P16050 1/20 0.43
DRD4 P21917 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNT1 Q5JUK3 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL7428126 0.92 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7437784 0.89 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7447951 0.89 DRD4 (0.50) MEN1KMT2AALDH1A1DRD4MAPT
SCHEMBL10995400 0.88 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7446109 0.87 LMNA (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7446327 0.84 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7495736 0.84 TSHR (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL7431672 0.84 LMNA (0.53) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7434855 0.84 LMNA (0.49) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1
SCHEMBL7440410 0.82 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPK1

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