SCHEMBL7956367

SCHEMBL7956367

CCC(C)Sc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
ATM Q13315 1/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
MBOAT4 Q96T53 3/20 0.30
PDE2A O00408 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7958699 0.89 ALDH1A1 (0.36) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL7957101 0.84 ALDH1A1 (0.36) ALDH1A1KMT2APOLBTSHRGAA
SCHEMBL7956836 0.84 ALDH1A1 (0.44) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL7947703 0.83 ALDH1A1 (0.36) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL7962066 0.82 LMNA (0.42) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL7947778 0.82 ATM (0.39) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL974974 0.81 ALDH1A1 (0.38) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL7957007 0.80 ATM (0.48) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL7956955 0.79 ALDH1A1 (0.36) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL977035 0.79 ALDH1A1 (0.36) ALDH1A1KMT2APOLBTSHRMAPK1

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