SCHEMBL17654205

SCHEMBL17654205

CCN(C)c1ncc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
ACACB O00763 1/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 1/20 0.31
GRM5 P41594 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL5238211 0.79 GBA1 (0.55) GBA1ACACBKDM4ENPC1ALDH1A1
SCHEMBL7258115 0.78 PTPN11 (0.36) GBA1NPC1MAPK1SMN1; SMN2RAB9A
SCHEMBL27101554 0.77 POLB (0.46) GBA1KDM4EALDH1A1MAPK1
SCHEMBL3616165 0.77 ESR1 (0.36) GBA1KDM4ENPC1MAPK1RAB9A
SCHEMBL629463 0.75 ALDH1A1 (0.48) GBA1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL12888687 0.75 CYP2D6 (0.34) ACACBKDM4EALDH1A1
SCHEMBL13271174 0.75 GBA1 (0.33) GBA1
SCHEMBL20772888 0.74 DAO (0.36) GBA1ACACBPDE10A
SCHEMBL3606370 0.74 ACACB (0.41) ACACBALDH1A1MAPK1
SCHEMBL20394335 0.72 LMNA (0.48) GBA1KDM4ENPC1ALDH1A1MAPK1

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-3201196-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-09 EP disclosed
WO-2016050975-A1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-07 WO disclosed