SCHEMBL16200239

SCHEMBL16200239

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 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 1/20 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
ADCY10 Q96PN6 3/20 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
SCHEMBL13683149 0.86 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL14044167 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL16200250 0.74 KLKB1 (0.33) ALDH1A1SMN1; SMN2LMNA
SCHEMBL14043869 0.72
SCHEMBL14043991 0.70 IRAK4 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL14044204 0.69 PDE1A (0.31)
SCHEMBL13184123 0.68 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTAPOBEC3G
SCHEMBL13184421 0.68 NOTUM (0.41) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL14043735 0.66 POLB (0.31)
SCHEMBL13184129 0.66 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2LMNA

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