SCHEMBL7429340

SCHEMBL7429340

O=C(CN1CCC(NCC(O)C2COc3ccccc3O2)CC1)Nc1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
DRD4 P21917 2/20 0.41
AIMP2 Q13155 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7434360 0.92 POLB (0.59) POLBALDH1A1L3MBTL1KMT2ADRD4
SCHEMBL7443888 0.90 POLB (0.48) POLBALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7437941 0.90 TSHR (0.43) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7447128 0.88 RAB9A (0.52) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7439415 0.88 POLB (0.49) POLBALDH1A1L3MBTL1AIMP2LMNA
SCHEMBL7439355 0.87 ALDH1A1 (0.41) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7441217 0.87 ALDH1A1 (0.56) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7428136 0.87 POLB (0.48) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL7435917 0.87 POLB (0.48) POLBALDH1A1L3MBTL1DRD4AIMP2
SCHEMBL10997355 0.86 POLB (0.55) POLBALDH1A1KMT2AMEN1DRD4

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