SCHEMBL16200079

SCHEMBL16200079

Cc1nn(C)c(CN(C)C)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GLS O94925 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
LMNA P02545 2/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
BPTF Q12830 1/20 0.31

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
SCHEMBL7357745 0.77 KDM4E (0.43) KDM4EGLSALDH1A1SMN1; SMN2ADORA2A
SCHEMBL7981164 0.77 KDM4E (0.43) KDM4EGLSALDH1A1SMN1; SMN2ADORA2A
SCHEMBL13066525 0.75 KDM4E (0.46) KDM4EGLSALDH1A1SMN1; SMN2ADORA2A
SCHEMBL13184316 0.75 KDM4E (0.46) KDM4EGLSALDH1A1SMN1; SMN2ADORA2A
SCHEMBL4352330 0.69 KDM4E (0.49) KDM4EGLSALDH1A1SMN1; SMN2LMNA
SCHEMBL16200059 0.68 NMT1 (0.34) GLSALDH1A1LMNABPTF
SCHEMBL13066523 0.67 SIGMAR1 (0.40) KDM4EALDH1A1LMNA
SCHEMBL16307582 0.67 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2LMNAGALR3
SCHEMBL1196791 0.66
SCHEMBL1086373 0.66

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed