SCHEMBL9526242

SCHEMBL9526242

Cc1cc(=O)ccn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COMT P21964 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NOTUM Q6P988 2/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.37

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
SCHEMBL10513428 0.74 ALDH1A1 (0.50) COMTSMN1; SMN2DDB1CRBNALDH1A1
SCHEMBL7861231 0.73 SMN1; SMN2 (0.60) COMTSMN1; SMN2NOTUMDDB1CRBN
SCHEMBL9370346 0.72 POLB (0.64) SMN1; SMN2NOTUMALDH1A1KDM4ECYP1A2
SCHEMBL1127502 0.72 ATM (0.48) COMTSMN1; SMN2NOTUMDDB1CRBN
SCHEMBL14827200 0.71 COMT (0.54) COMTALDH1A1KDM4ECYP1A2HPGD
SCHEMBL8142857 0.68 ALDH1A1 (0.53) COMTNOTUMALDH1A1KDM4ECYP1A2
SCHEMBL14827201 0.68 COMT (0.77) COMT
SCHEMBL30613481 0.68 COMT (0.49) COMTSMN1; SMN2NOTUMDDB1CRBN
SCHEMBL791652 0.67
Formic Acid SCHEMBL27390152 0.67 ATM (0.53) COMTNOTUMDDB1CRBNALDH1A1

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
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed