SCHEMBL7312650

SCHEMBL7312650

NC(=O)CCCC(Oc1ccc(Cl)c([N+](=O)[O-])c1C=O)N1CCc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 3/20 0.33

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
SCHEMBL7316959 0.86 ALDH1A1 (0.35) CA12CA1CA2CA3CA4
SCHEMBL7312257 0.86 ALDH1A1 (0.37) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7312638 0.82 MAPT (0.35) CA12CA1CA2CA3CA4
SCHEMBL7312643 0.73 MAPT (0.38) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7321025 0.73 ALDH1A1 (0.39) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7316945 0.71 ALDH1A1 (0.36) CA12CA1CA2CA3CA4
SCHEMBL7312241 0.70 MAPT (0.37) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7317001 0.70 MAPT (0.31) MAPTALDH1A1POLB
SCHEMBL7320610 0.69 PDE3B (0.34) MAPTALDH1A1POLBCYP3A4
SCHEMBL7314882 0.68 NPC1 (0.41) MAPTALDH1A1MEN1KMT2ARAB9A

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