SCHEMBL5747406

SCHEMBL5747406

CCc1c[c]cc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NQO1 P15559 1/20 0.34
▸ ATM Q13315 2/20 0.34
▸ GAA P10253 3/20 0.33
▸ ELANE P08246 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL2251757 0.83 TLR8 (0.42) MAPTATMGAANPC1MEN1
SCHEMBL458630 0.82 CYP1A2 (0.38) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL5748051 0.80 TLR8 (0.42) KDM4EALDH1A1MAPTGAAUSP2
SCHEMBL2252320 0.80 TLR8 (0.42) KDM4EALDH1A1MAPTGAAUSP2
SCHEMBL2256120 0.80 TLR8 (0.42) KDM4EALDH1A1MAPTGAAUSP2
SCHEMBL498622 0.76 ALDH1A1 (0.46) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL5748318 0.76 MTNR1A (0.33) KDM4EALDH1A1GAAHTR2A
SCHEMBL5751283 0.76 MTNR1A (0.33) KDM4EALDH1A1GAAHTR2A
SCHEMBL31158567 0.75 ALDH1A1 (0.44) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL2701203 0.75 CYP1A2 (0.41) CYP1A2CYP2A6KDM4EALDH1A1MAPT

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-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 — — US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 — — EP disclosed
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