SCHEMBL7958877

SCHEMBL7958877

CCOc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.38
ENPP1 P22413 3/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PDE2A O00408 2/20 0.36
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MBOAT4 Q96T53 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
SCHEMBL7947670 0.87 MBOAT4 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL6998016 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL6995491 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL5236413 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL7961969 0.82 ALDH1A1 (0.42) ALDH1A1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL7958613 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL4818695 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL4820443 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL6999154 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL6997181 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AENPP1POLBTSHR

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