SCHEMBL7488259

SCHEMBL7488259

Fc1ccc(F)c(-c2c(Cl)nc3ncnn3c2N2CCCCCC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
EGLN2 Q96KS0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE2A O00408 10/20 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
SCHEMBL7490417 1.00 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDEGLN2
SCHEMBL4816609 1.00 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDEGLN2
SCHEMBL8916786 0.89 TSHR (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDEGLN2
SCHEMBL4821987 0.89 TSHR (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDEGLN2
SCHEMBL7492040 0.89 HTR1A (0.35) ALDH1A1SMN1; SMN2EGLN2TSHRPOLB
SCHEMBL4811365 0.88 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL4820334 0.86 TSHR (0.43) ALDH1A1KDM4ESMN1; SMN2EGLN2TSHR
SCHEMBL7492281 0.86 EGLN2 (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDEGLN2
SCHEMBL7490029 0.86 GLA (0.40) KDM4EEGLN2TSHRLMNAGLA
SCHEMBL4820465 0.86 PDE2A (0.39) ALDH1A1SMN1; SMN2HPGDTSHRKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP claimed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP claimed
EP-0945453-B1 Fungicidal trifluorophenyl-triazolopyrimidines BASF AG (DE) 2002-11-20 EP disclosed
US-6117865-A FOR CONTROLLING FUNGUS IN PLANTS AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0945453-A1 Fungicidal trifluorophenyl-triazolopyrimidines American Cyanamid Company (US) 1999-09-29 EP disclosed