SCHEMBL7957151

SCHEMBL7957151

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2SCc2ccccc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
ENPP1 P22413 2/20 0.34
MBOAT4 Q96T53 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
PDE2A O00408 1/20 0.33
MAPK1 P28482 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33

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
SCHEMBL7955290 0.86 NPC1 (0.38) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL7961666 0.83 ALDH1A1 (0.35) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7956836 0.83 ALDH1A1 (0.44) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7947778 0.81 ATM (0.39) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7954925 0.81 MBOAT4 (0.35) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7947542 0.80 KMT2A (0.34) GAAALDH1A1POLBKMT2ATSHR
SCHEMBL7947703 0.80 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7947814 0.79 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7957007 0.79 ATM (0.48) SMN1; SMN2GAAALDH1A1POLBKMT2A
SCHEMBL7962066 0.79 LMNA (0.42) GAAALDH1A1POLBKMT2ATSHR

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