SCHEMBL11513633

SCHEMBL11513633

CCNC(=S)Nc1ccc(C)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALOX12 P18054 4/20 0.50
NPSR1 Q6W5P4 1/20 0.47
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL11513102 0.85 ALDH1A1 (0.49) LMNASMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL11512166 0.83 KMT2A (0.71) LMNASMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL11413181 0.82 CYP1A2 (0.46) SMN1; SMN2GAAKMT2AMEN1L3MBTL1
SCHEMBL16030202 0.80 CYP1A2 (0.46) LMNASMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL11137508 0.79 GAA (0.44) SMN1; SMN2GAAALDH1A1KMT2AMEN1
SCHEMBL11276618 0.79 LMNA (0.62) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL25097905 0.78 CYP1A2 (0.45) LMNASMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL11541440 0.78 GAA (0.70) LMNASMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL13905148 0.76 CYP1A2 (0.50) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL16030322 0.76 EPHX1 (0.67) LMNASMN1; SMN2GAAALDH1A1ALOX12

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
US-4173645-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed