SCHEMBL11808136

SCHEMBL11808136

COCCNC(=S)Nc1ccc(C)cc1C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 6/20 0.67
HTT P42858 4/20 0.67
ALOX12 P18054 6/20 0.65
LMNA P02545 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
POLB P06746 1/20 0.57
MCHR1 Q99705 1/20 0.56

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
SCHEMBL11808705 0.86 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11515272 0.83 KMT2A (0.77) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL5454958 0.83 KMT2A (1.00) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11514074 0.81 KMT2A (0.73) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11814225 0.81 KMT2A (0.83) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11512166 0.80 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11755573 0.79 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL31388347 0.79 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11805665 0.78 KMT2A (0.61) KMT2AMEN1ALDH1A1HTTALOX12
SCHEMBL11801503 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTALOX12

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-3933833-A ANTIINFLAMMATORY THE DOW CHEMICAL COMPANY (US) 1976-01-20 US claimed
US-3933833-A ANTIINFLAMMATORY THE DOW CHEMICAL COMPANY (US) 1976-01-20 US disclosed