SCHEMBL3245965

SCHEMBL3245965

CS(=O)(=O)c1cc(CCCN)cc(NCC(N)=O)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PIK3CA P42336 2/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
DAGLA Q9Y4D2 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
SCHEMBL17451416 0.87 PIK3CA (0.32) PIK3CAFPR2SCN9A
SCHEMBL3245961 0.87 ALDH1A1 (0.37) PIK3CAFPR2SCN9A
SCHEMBL3118410 0.87 PIK3CA (0.33) PIK3CAFPR2SCN9A
SCHEMBL3121606 0.84 HTT (0.34) PIK3CAFPR2SCN9A
SCHEMBL3118400 0.78 SCN9A (0.41) PIK3CAFPR2SCN9A
SCHEMBL27827212 0.74 FPR2 (0.32) PIK3CAFPR2SCN9A
SCHEMBL568733 0.74 FPR2 (0.32) PIK3CAFPR2SCN9A
SCHEMBL2170535 0.73 GLP1R (0.37) DAGLA
SCHEMBL569093 0.72 FPR2 (0.31) FPR2SCN9A
Hydrochloric Acid SCHEMBL2170231 0.69 LMNA (0.42)

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
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed