SCHEMBL7947701

SCHEMBL7947701

COc1ccc(Sc2c(-c3c(F)cc(F)cc3F)c(Cl)nc3ncnn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
APP P05067 1/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MBOAT4 Q96T53 2/20 0.34
CRHR1 P34998 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PDE2A O00408 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 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
SCHEMBL7947354 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL7961666 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL7961823 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL7958836 0.82 MBOAT4 (0.37) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL7962066 0.80 LMNA (0.42) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL7956802 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EGAAAPPTSHR
SCHEMBL7947814 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2GAA
SCHEMBL7956836 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL7958699 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EGAALMNATSHR
SCHEMBL7956955 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAALMNA

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