SCHEMBL13683149

SCHEMBL13683149

Cc1c(Cl)c(-c2nc(CO)co2)nn1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALPL P05186 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BCHE P06276 1/20 0.31
IL6 P05231 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL16200239 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL14044167 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL13184129 0.80 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL14139364 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL13683150 0.70 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL13184123 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL13184421 0.68 NOTUM (0.41) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL13184179 0.66 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL13184193 0.66 NOTUM (0.47) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL14044042 0.64 NOTUM (0.36) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G

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
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed