SCHEMBL10779162

SCHEMBL10779162

CCN(CC)C(=NCc1ccccc1)c1ccccc1C(O)=S

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ ABCC1 P33527 1/20 0.41
▸ NOS2 P35228 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GRIN1 Q05586 2/20 0.37
▸ GRIN2B Q13224 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10778453 0.88 ALDH1A1 (0.41) ALDH1A1MGLLABCC1NOS2MAPK1
SCHEMBL10779152 0.88 ALDH1A1 (0.38) ALDH1A1MGLLABCC1NOS2MAPK1
SCHEMBL10781623 0.86 LMNA (0.40) ALDH1A1NOS2LMNAGRIN1GRIN2B
SCHEMBL10783562 0.85 ALDH1A1 (0.47) ALDH1A1MGLLNOS2MEN1KMT2A
SCHEMBL10781615 0.82 TSHR (0.43) ALDH1A1ABCC1NOS2MAPK1TSHR
SCHEMBL10778520 0.78 ABCC1 (0.43) ALDH1A1MGLLABCC1NOS2MAPK1
SCHEMBL10779146 0.74 TSHR (0.39) ALDH1A1ABCC1NOS2MAPK1TSHR
SCHEMBL10779113 0.74 POLB (0.46) ALDH1A1MGLLABCC1NOS2MAPK1
SCHEMBL10783861 0.74 TSHR (0.40) ALDH1A1MGLLABCC1MAPK1TSHR
SCHEMBL10781260 0.72 ABCC1 (0.39) ALDH1A1MGLLABCC1NOS2MEN1

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
EP-0113108-B1 BENZAMIDINE GROUP COMPOUNDS AND AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1987-07-29 — — EP claimed
EP-0113108-A2 Benzamidine group compounds and agricultural fungicidal compositions containing the same UBE INDUSTRIES, LTD. (JP) 1984-07-11 — — EP claimed
EP-0113108-B1 BENZAMIDINE GROUP COMPOUNDS AND AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1987-07-29 — — EP disclosed
EP-0113108-A2 Benzamidine group compounds and agricultural fungicidal compositions containing the same UBE INDUSTRIES, LTD. (JP) 1984-07-11 — — EP disclosed
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