SCHEMBL16200403

SCHEMBL16200403

Cc1c(Cl)c(CN2CCN(C)CC2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.41
NMT1 P30419 7/20 0.39
LMNA P02545 1/20 0.39
CHKA P35790 2/20 0.37
POLB P06746 2/20 0.36
CA2 P00918 1/20 0.35
NCF1 P14598 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
ERAP1 Q9NZ08 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
SCHEMBL16200064 0.83 CYP2A13 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16200399 0.83 SIGMAR1 (0.39) NMT1LMNAPOLBTDP1MEN1
SCHEMBL17339934 0.75 NMT1 (0.41) MC4RNMT1LMNAALDH1A1KMT2A
SCHEMBL12871802 0.71 GAA (0.45) LMNAPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL13184159 0.70 POLB (0.39) LMNAPOLBALDH1A1KDM4EKMT2A
SCHEMBL16200059 0.67 NMT1 (0.34) NMT1LMNAPOLBALDH1A1HPGD
SCHEMBL18713011 0.67 MC4R (0.42) MC4RLMNACHKACA2NCF1
SCHEMBL10030552 0.66 GAA (0.56) MC4RLMNACHKAPOLBCA2
SCHEMBL16200237 0.66 MC4R (0.41) MC4RLMNACHKAPOLBCA2
SCHEMBL22607352 0.64 NMT1 (0.39) NMT1NCF1PRMT6

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