SCHEMBL2416207

SCHEMBL2416207

COc1nc(N2CCC(O)C2C(=O)O)ccc1N.COc1nc(N2CCCC2C(=O)O)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 3/20 0.34
SYK P43405 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPT P10636 1/20 0.33
ALOX5AP P20292 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
NTRK2 Q16620 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
BCL6 P41182 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL2417828 0.91 HSD11B1 (0.41) HSD11B1ITGB2ICAM1ITGALKMT2A
SCHEMBL2415027 0.91 PRKAB2 (0.33)
SCHEMBL2413440 0.84 KMT2A (0.42) HSD11B1KMT2ASMN1; SMN2MAPTALOX5AP
SCHEMBL2417511 0.81 MMP3 (0.36)
SCHEMBL2415051 0.79 ALDH1A1 (0.45) HSD11B1ITGB2ICAM1ITGALKMT2A
SCHEMBL2411183 0.79 MAPK8 (0.38) KMT2AALDH1A1
SCHEMBL2413824 0.76 LMNA (0.32)
SCHEMBL2413098 0.76 HSD11B1 (0.39) HSD11B1ITGB2ICAM1ITGALKMT2A
SCHEMBL2416674 0.76 NEK2 (0.32)
SCHEMBL2414093 0.76 KMT2A (0.43) HSD11B1KMT2ASYKSMN1; SMN2MAPT

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-1312606-B1 2,5-diaminopyridine oxidation bases and their use for dyeing of keratin fibres OREAL (FR) 2011-09-21 EP claimed