SCHEMBL7751782

SCHEMBL7751782

CCCNCSc1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NR2F2 P24468 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ UBE2N P61088 1/20 0.35

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
SCHEMBL1436075 0.67 CYP2D6 (0.50) TDP1POLBLMNAMEN1KMT2A
SCHEMBL7527763 0.66 POLB (0.43) POLBLMNAMEN1KMT2AMAPT
SCHEMBL18129367 0.66 CYP1A2 (0.49) TDP1POLBLMNASMN1; SMN2MEN1
SCHEMBL7535112 0.66 POLB (0.47) TDP1POLBTHRBL3MBTL1RECQL
SCHEMBL5185226 0.66 CYP1A2 (0.49) TDP1POLBLMNASMN1; SMN2MEN1
SCHEMBL4423068 0.66 TDP1 (0.40) TDP1POLBTHRBL3MBTL1LMNA
SCHEMBL1145559 0.65 TP53 (0.48) TDP1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL6328103 0.65 NOS2 (0.41) TDP1POLBTHRBL3MBTL1RECQL
SCHEMBL7268486 0.65 HPGD (0.58) TDP1POLBTHRBRECQLLMNA
SCHEMBL224923 0.65 TP53 (0.52) TDP1RECQLSMN1; SMN2MEN1KMT2A

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
EP-1064271-A1 2- (2-ARYLTHIOETHYL)AMINO]-4-AMINO-1,3,5-TRIAZINES USED AS HERBICIDES BAYER AG (DE) 2001-01-03 — — EP disclosed
WO-1999048877-A1 2-[(2-ARYLTHIOETHYL)AMINO]-4-AMINO-1,3,5-TRIAZINES USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-09-30 — — WO disclosed
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