SCHEMBL8913698

SCHEMBL8913698

Fc1ccc(-c2c(Cl)nc3ncnn3c2N2CCCCCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
EGLN2 Q96KS0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE2A O00408 13/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4820964 0.87 PDE2A (0.42) KDM4EALDH1A1EGLN2PDE2APOLB
SCHEMBL7490417 0.86 ALDH1A1 (0.37) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL4816609 0.86 ALDH1A1 (0.37) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL7488259 0.86 ALDH1A1 (0.37) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL4822430 0.84 SMN1; SMN2 (0.42) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL8919399 0.83 EGLN2 (0.43) EGLN2PDE2ATSHR
SCHEMBL4821987 0.82 TSHR (0.40) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL8916786 0.82 TSHR (0.40) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL974960 0.82 LMNA (0.36) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2
SCHEMBL4819802 0.82 LMNA (0.36) KDM4EALDH1A1HPGDEGLN2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593996-A FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed