SCHEMBL9324832

SCHEMBL9324832

COC(=O)Oc1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 6/20 0.43
SMARCA4 P51532 5/20 0.43
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
NFE2L2 Q16236 1/20 0.39
RIOK2 Q9BVS4 1/20 0.38
RECQL P46063 1/20 0.38
GRM5 P41594 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
CYP3A4 P08684 1/20 0.36
PRKACA P17612 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36

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
SCHEMBL2860423 0.82 LMNA (0.46) SMARCA2SMARCA4RECQLCYP11B1CYP11B2
SCHEMBL2549948 0.82 CCR1 (0.57) RIOK2ALDH1A1CCR1CCR5CCR8
SCHEMBL9326916 0.82 KMT2A (0.44) SMARCA2SMARCA4RECQLALDH1A1
SCHEMBL9568958 0.81 AAK1 (0.38) RIOK2ALDH1A1AAK1CCR1CCR5
SCHEMBL9650144 0.80 RECQL (0.41) SMARCA2SMARCA4NFE2L2RECQLGRM5
SCHEMBL9319785 0.80 RECQL (0.41) SMARCA2SMARCA4NFE2L2RECQLGRM5
SCHEMBL7167241 0.79 NOS3 (0.59) ROCK1ROCK2AAK1CYP3A4PRKACA
SCHEMBL27572847 0.79 SMARCA2 (0.40) SMARCA2SMARCA4GRM5ALDH1A1AAK1
SCHEMBL15880529 0.79 MEN1 (0.52) SMARCA2SMARCA4NFE2L2RECQLGRM5
SCHEMBL15357773 0.78 ALDH1A1 (0.39) SMARCA2SMARCA4NFE2L2RECQLALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438691-B1 Process for the preparation of substituted 2-chloropyridines BAYER AG (DE) 1994-02-16 EP disclosed
EP-0438691-A1 Process for the preparation of substituted 2-chloropyridines BAYER AG (DE) 1991-07-31 EP disclosed
EP-0370317-A1 Process for the preparation of substituted 2-chloropyridines BAYER AG (DE) 1990-05-30 EP disclosed