SCHEMBL7863196

SCHEMBL7863196

N=C(N)Nc1cccc(C(=O)NCc2ccccc2C(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BCHE P06276 12/20 0.46
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CASR P41180 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8531696 0.86 MAPT (0.48) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7863198 0.85 MAPT (0.44) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7863288 0.84 SIRT2 (0.48) MAPTLMNASMN1; SMN2ITGB3ITGA2B
SCHEMBL7856433 0.82 ITGB3 (0.54) MAPTSMN1; SMN2ITGB3ITGA2BSIRT2
SCHEMBL7862015 0.81 MAPT (0.51) MAPTLMNASMN1; SMN2ITGB3SIRT2
SCHEMBL7455765 0.81 ITGB3 (0.58) ITGB3ITGA2BHDAC6SIRT2
SCHEMBL7377637 0.80 MAPT (0.55) MAPTLMNASMN1; SMN2BCHEITGB3
SCHEMBL7856464 0.78 TP53 (0.49) LMNABCHEITGB3ITGA2BSIRT2
SCHEMBL7863172 0.77 MAPT (0.51) MAPTLMNASMN1; SMN2BCHEHDAC6
SCHEMBL7864274 0.77 LMNA (0.43) MAPTLMNAITGB3ITGA2BSIRT2

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
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed