SCHEMBL9315976

SCHEMBL9315976

CC(C)c1cc(CNc2cc(Cl)nc(N)n2)on1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.55
HRH4 Q9H3N8 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.38

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
SCHEMBL4466085 0.72 IGF1R (1.00) IGF1R
SCHEMBL8071869 0.71 HRH4 (0.61) HRH4CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL12439820 0.71 IGF1R (0.58) IGF1REPHX2
SCHEMBL18884429 0.71 EPHX2 (0.48) IGF1RALDH1A1SMN1; SMN2EPHX2
SCHEMBL14311612 0.70 IGF1R (0.59) IGF1REPHX2
SCHEMBL6402251 0.69 NPC1 (0.54) IGF1RALDH1A1SMN1; SMN2EPHX2
SCHEMBL1318375 0.69 CYP2D6 (0.64) HRH4CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL12852537 0.69 EPHX2 (0.49) IGF1RALDH1A1SMN1; SMN2EPHX2
SCHEMBL745934 0.69 ALDH1A1 (0.49) IGF1RALDH1A1SMN1; SMN2EPHX2
SCHEMBL1790427 0.68 ALDH1A1 (0.36) IGF1RCYP2D6ALDH1A1SMN1; SMN2EPHX2

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-5280009-A Herbicide BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
EP-0523533-A1 Substituted pyrimidin derivatives and their use for combatting the growth of undesirable plants BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed