SCHEMBL10452895

SCHEMBL10452895

CNc1cc(C)nc(S(C)(=O)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 6/20 0.57
▸ NOS3 P29474 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ HTR6 P50406 3/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ AGO2 Q9UKV8 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1051087 0.81 LMNA (0.52) BPTFLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2614925 0.79 BPTF (0.55) BPTFNOS3NOS2LMNASMN1; SMN2
SCHEMBL9432808 0.77 LMNA (0.70) BPTFLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27776507 0.75 SDHB (0.54) BPTFLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15722708 0.75 PIK3C3 (0.47) —
SCHEMBL7754155 0.74 LMNA (0.45) BPTFLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6296316 0.72 LMNA (0.44) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL10519534 0.72 NOS3 (0.50) BPTFNOS3NOS2LMNASMN1; SMN2
SCHEMBL12859521 0.72 NUDT1 (0.59) BPTFSMN1; SMN2GAAMAPTCYP3A4
SCHEMBL4915813 0.70 NOS3 (0.60) NOS3NOS2LMNASMN1; SMN2ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101613322-A One class contains the synthetic and weeding activity of the chiral aryloxy phenoxy propionic acid ester derivative of pyrimidine UNIV HUAZHONG NORMAL 2009-12-30 — — CN disclosed
US-4980510-A REACTING A SUBSTITUTED HALOBENZENE WITH SODIUM HYDROSULFIDE OR SODIUM SULFIDE AND ACIDIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 — — US disclosed
EP-0302312-A2 Aryloxy (or thio)-aminopyrimidines BAYER AG (DE) 1989-02-08 — — EP disclosed
EP-0302321-A2 Process for the preparation of thiophenols, and these thiophenols BAYER AG (DE) 1989-02-08 — — EP disclosed
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