SCHEMBL11775744

SCHEMBL11775744

CN(C)C(=S)Nc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 1/20 0.55
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 4/20 0.49
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
RRM1 P23921 1/20 0.44
RRM2 P31350 1/20 0.44
RRM2B Q7LG56 1/20 0.44
LMNA P02545 1/20 0.44
MASP2 O00187 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
SCHEMBL29350469 0.81 CYP1A2 (0.62) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL134948 0.81 CYP1A2 (0.62) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL4901515 0.81 CYP1A2 (0.62) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL23618280 0.78 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1CYP1A2KDM4E
SCHEMBL5448016 0.78 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1CYP1A2KDM4E
SCHEMBL10425058 0.78 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1CYP1A2TSHR
SCHEMBL23120126 0.76 KMT2A (0.70) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL11779453 0.75 NPSR1 (0.58) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11867510 0.75 LMNA (0.66) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1884582 0.75 KMT2A (1.00) KMT2AMEN1ALDH1A1CYP1A2MAPT

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-3996275-A HERBICIDES MONSANTO COMPANY (US) 1976-12-07 US disclosed
US-3956384-A HERBICIDE MONSANTO COMPANY (US) 1976-05-11 US disclosed