SCHEMBL7316989

SCHEMBL7316989

C=c1c(=O)[nH]c2n1Cc1c(Cl)ccc(OCCCC(C(N)=O)N3CCc4ccccc43)c1N=2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7317001 0.84 MAPT (0.31) MAPTALDH1A1POLB
SCHEMBL7316993 0.81 MAPT (0.34) MAPTHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL7320601 0.80 PDE3B (0.35) MAPTHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL7316075 0.76 PDE3B (0.49) MAPTNPSR1SMN1; SMN2NPC1RAB9A
SCHEMBL7314546 0.74 PDE3B (0.39) MAPTHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL7317200 0.72 PDE3B (0.50) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL7312638 0.70 MAPT (0.35) MAPTHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL7316945 0.69 ALDH1A1 (0.36) MAPTHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL7312241 0.68 MAPT (0.37) MAPTHPGDNPSR1SMN1; SMN2MEN1
SCHEMBL7316094 0.67 PDE3B (0.45) MAPTHPGDNPSR1SMN1; SMN2MEN1

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