SCHEMBL8032283

SCHEMBL8032283

Cn1c(Cc2ccc(C(=N)NO)cc2)cc2cc(N(CC(=O)NO)S(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.57
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8026502 0.94 F2 (0.65) F2ALDH1A1MAPTTP53TSHR
Hydrochloric Acid SCHEMBL8028366 0.85 F2 (0.66) F2ALDH1A1MAPTTP53
Hydrochloric Acid SCHEMBL8016304 0.84 F2 (0.76) F2ALDH1A1MAPT
SCHEMBL8031709 0.82 F2 (0.64) F2ALDH1A1MAPTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL8026688 0.82 F2 (0.59) F2ALDH1A1MAPTTP53TSHR
SCHEMBL8130727 0.81 F2 (0.54) F2ALDH1A1MAPTTP53TSHR
Hydrochloric Acid SCHEMBL8028886 0.81 F2 (0.64) F2ALDH1A1MAPTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL8029851 0.81 F2 (0.63) F2ALDH1A1MAPTSMN1; SMN2
SCHEMBL8028780 0.80 F2 (0.48) F2ALDH1A1MAPTTP53TSHR
SCHEMBL6635405 0.79 F2 (0.78) F2ALDH1A1MAPTSMN1; SMN2

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed