SCHEMBL7956802

SCHEMBL7956802

Cc1ccccc1Sc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 3/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APP P05067 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
SCHEMBL7947814 0.90 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7958836 0.88 MBOAT4 (0.37) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7954904 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRPOLBUSP2
SCHEMBL7961666 0.85 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7962066 0.81 LMNA (0.42) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7947354 0.81 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7947701 0.79 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL5096454 0.78 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7956955 0.78 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7956836 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRPOLBMAPK1

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