SCHEMBL7359105

SCHEMBL7359105

Cn1cc(C(=O)NCc2ccc(C(=N)N)cc2)c2cc(N(CC(=O)O)S(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.65
ALDH1A1 P00352 2/20 0.45
F10 P00742 3/20 0.41
POLB P06746 1/20 0.39
RORC P51449 1/20 0.37
HASPIN Q8TF76 1/20 0.37
KLKB1 P03952 1/20 0.37
MAPT P10636 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL7350847 0.94 F2 (0.63) F2ALDH1A1F10POLBRORC
Hydrochloric Acid SCHEMBL7356248 0.91 F2 (0.54) F2ALDH1A1F10POLBRORC
Hydrochloric Acid SCHEMBL7361185 0.89 F2 (0.66) F2ALDH1A1F10MAPT
Hydrochloric Acid SCHEMBL7352296 0.88 F2 (0.68) F2ALDH1A1F10MAPT
SCHEMBL8491517 0.86 F2 (0.60) F2ALDH1A1MAPTEGLN1
Hydrochloric Acid SCHEMBL7358813 0.86 F2 (0.52) F2ALDH1A1F10POLBRORC
Hydrochloric Acid SCHEMBL7381526 0.83 F2 (0.62) F2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7357099 0.82 F2 (0.66) F2ALDH1A1F10MAPT
SCHEMBL6640506 0.81 F2 (0.84) F2ALDH1A1F10
SCHEMBL8489800 0.81 F2 (0.53) F2ALDH1A1MAPTEGLN1

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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed