SCHEMBL7958836

SCHEMBL7958836

COc1ccccc1Sc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.37
IDO1 P14902 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
PTPN11 Q06124 1/20 0.35
GAA P10253 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 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
SCHEMBL7956802 0.88 ALDH1A1 (0.38) KMT2AMEN1MAPK1GAAALDH1A1
SCHEMBL4820458 0.87 ALDH1A1 (0.35) MBOAT4KMT2AMEN1NPC1PTPN11
SCHEMBL7947814 0.86 ALDH1A1 (0.36) KMT2AMEN1MAPK1GAAALDH1A1
SCHEMBL7961666 0.82 ALDH1A1 (0.35) KMT2AMEN1MAPK1GAAALDH1A1
SCHEMBL7947701 0.82 ALDH1A1 (0.39) MBOAT4KMT2AMAPK1NPC1GAA
SCHEMBL7962066 0.78 LMNA (0.42) KMT2AMEN1MAPK1GAAALDH1A1
SCHEMBL7947354 0.78 ALDH1A1 (0.39) MBOAT4KMT2AMEN1MAPK1GAA
SCHEMBL6990107 0.76 KDM4E (0.40) MBOAT4KMT2AMEN1MAPK1NPC1
SCHEMBL7956955 0.75 ALDH1A1 (0.36) MBOAT4KMT2AMEN1MAPK1GAA
SCHEMBL7956836 0.75 ALDH1A1 (0.44) MBOAT4KMT2AMEN1MAPK1GAA

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-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US claimed
US-6277857-B1 EXCELLENT SELECTIVE FUNGICIDAL ACTIVITY AGAINST VARIOUS CROP PHYTOPATHOGENS AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed