SCHEMBL18286554

SCHEMBL18286554

Cc1ccc(NC(=N)N)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MAPT P10636 3/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
ALOX15 P16050 1/20 0.55
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51
CA2 P00918 1/20 0.51
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL11834166 0.86 GAA (0.51) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL1186288 0.82 POLB (0.55) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL1995869 0.82 EPHX1 (0.59) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10516773 0.82 MAPT (0.71) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL3183964 0.81 ALDH1A1 (0.63) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL68180 0.81 MAPT (0.70) GAAMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11879263 0.81 EPHX1 (0.57) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10310173 0.79 ALDH1A1 (0.51) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL61965 0.79 SMN1; SMN2 (0.54) GAAMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11511126 0.78 ALDH1A1 (0.45) GAAMAPTALDH1A1CA2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605804-B1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2017-03-15 EP disclosed
US-9511071-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2016-12-06 US disclosed