SCHEMBL1730656

SCHEMBL1730656

CC(C)(C)c1cc(C(=O)CN2Cc3ccc(NC(N)=O)cc3C2=N)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2R P25116 11/20 0.41
NPC1 O15118 1/20 0.39
NPY5R Q15761 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
MAOB P27338 1/20 0.34
BCHE P06276 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34

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
Bromide SCHEMBL5494303 0.99 KDM4E (0.41) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730516 0.91 KDM4E (0.41) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1729335 0.90 ALDH1A1 (0.43) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL5486176 0.90 KDM4E (0.44) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1731559 0.89 F2R (0.40) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730955 0.88 F2R (0.40) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1728955 0.85 KDM4E (0.41) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730571 0.85 F2R (0.46) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1729353 0.83 KDM4E (0.46) KDM4EMAPTRAB9ASMN1; SMN2F2R
SCHEMBL5490666 0.83 KDM4E (0.48) KDM4EMAPTRAB9ASMN1; SMN2F2R

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-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed