SCHEMBL7962066

SCHEMBL7962066

CSc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 4/20 0.34
PDE2A O00408 1/20 0.33
ALOX15 P16050 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL7956955 0.86 ALDH1A1 (0.36) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL7958699 0.86 ALDH1A1 (0.36) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL7956836 0.86 ALDH1A1 (0.44) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL7947778 0.84 ATM (0.39) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL5096454 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7947703 0.83 ALDH1A1 (0.36) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL7957007 0.82 ATM (0.48) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL7956367 0.82 ALDH1A1 (0.38) LMNAALDH1A1KMT2ATSHRPOLB
SCHEMBL3276173 0.82 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL7954925 0.82 MBOAT4 (0.35) 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