SCHEMBL7863172

SCHEMBL7863172

Cc1c(CNC(=O)c2cccc(NC(=N)N)c2)cccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BCHE P06276 11/20 0.49
MAPK1 P28482 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8500073 0.89 MAPT (0.49) MAPTLMNASMN1; SMN2BCHEMAPK1
SCHEMBL7377637 0.81 MAPT (0.55) MAPTLMNASMN1; SMN2BCHEHDAC6
SCHEMBL7856474 0.81 SIRT2 (0.51) MAPTLMNASMN1; SMN2BCHEMAPK1
SCHEMBL7856497 0.79 MAPT (0.50) MAPTLMNASMN1; SMN2BCHEHDAC6
SCHEMBL6366986 0.78 PLA2G10 (0.47) MAPTLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8531696 0.77 MAPT (0.48) MAPTLMNASMN1; SMN2BCHEMAPK1
Hydrochloric Acid SCHEMBL6368863 0.77 PLA2G10 (0.46) MAPTLMNASMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6773326 0.77 PLA2G10 (0.46) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL19426798 0.77 PLK4 (0.48) LMNASMN1; SMN2BCHEKMT2A
SCHEMBL7863196 0.77 MAPT (0.50) MAPTLMNASMN1; SMN2BCHEMAPK1

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