SCHEMBL7316993

SCHEMBL7316993

C=c1c(=O)[nH]c2n1Cc1c(Cl)ccc(OCCCCC(=O)NN3CCc4ccccc43)c1N=2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
HPGD P15428 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL7316989 0.81 MAPT (0.32) MAPTHPGDNPSR1SMN1; SMN2PDE3B
SCHEMBL7320606 0.79 PDE3B (0.37) MAPTHPGDNPSR1SMN1; SMN2MAPK1
SCHEMBL7317001 0.77 MAPT (0.31) MAPTALDH1A1
SCHEMBL7316084 0.77 PDE3B (0.56) PDE3BPDE3A
SCHEMBL7320355 0.70 PDE3B (0.40) PDE3BPDE3AHDAC3HDAC1HDAC2
SCHEMBL7312643 0.69 MAPT (0.38) MAPTHPGDNPSR1SMN1; SMN2MAPK1
SCHEMBL7313112 0.69 PDE3B (0.40) MAPTHPGDSMN1; SMN2MAPK1PDE3B
SCHEMBL7316951 0.69 MAPT (0.39) MAPTHPGDNPSR1SMN1; SMN2MAPK1
SCHEMBL7305746 0.67 PDE3B (0.42) MAPTHPGDSMN1; SMN2PDE3BPDE3A
SCHEMBL7312248 0.67 MAPT (0.39) MAPTHPGDNPSR1SMN1; SMN2MAPK1

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed