SCHEMBL7729289

SCHEMBL7729289

Cc1ccc(CNNC(C)c2ccc(I)cc2I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.34
CHRM2 P08172 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30
PLEC Q15149 1/20 0.30

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
SCHEMBL5269294 0.85 SMN1; SMN2 (0.49) SMN1; SMN2POLBCHRM2CYP1A2CYP2D6
SCHEMBL7728512 0.79 POLB (0.42) SMN1; SMN2POLBCHRM2MEN1ALDH1A1
SCHEMBL5274540 0.75 RAB9A (0.39) SMN1; SMN2POLBMEN1ALDH1A1KMT2A
SCHEMBL7725659 0.74 SMN1; SMN2 (0.37) SMN1; SMN2POLBMEN1KMT2AHPGD
SCHEMBL7728377 0.74 POLB (0.44) SMN1; SMN2POLBCYP2D6MEN1ALDH1A1
SCHEMBL7728348 0.72 SMN1; SMN2 (0.38) SMN1; SMN2POLBCHRM2MEN1ALDH1A1
SCHEMBL7194394 0.71 SMN1; SMN2 (0.45) SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5272049 0.70 POLB (0.46) SMN1; SMN2POLBCYP1A2CYP2D6MEN1
SCHEMBL5270099 0.70 ALDH1A1 (0.37) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL5267654 0.70 CASR (0.53) SMN1; SMN2MEN1ALDH1A1KMT2AL3MBTL1

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
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed