SCHEMBL8519088

SCHEMBL8519088

COc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CCCCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PDE2A O00408 7/20 0.38
MAPK1 P28482 1/20 0.37
APP P05067 1/20 0.35
MBOAT4 Q96T53 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
GALR2 O43603 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
SCHEMBL4819202 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4820533 0.89 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL6187642 0.89 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL3601556 0.88 TSHR (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL25616299 0.87 PAX2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL25616316 0.87 PAX2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL974960 0.87 LMNA (0.36) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4819802 0.87 LMNA (0.36) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4820368 0.86 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL6188798 0.86 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10

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-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US claimed
US-5981534-A USE IN AGRICULTURE OR RELATED FIELDS FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI SUCH AS ALTEMARIA SOLANI, BOTRYTIS CINEREA AMERICAN CYANAMID COMPANY (US) 1999-11-09 US disclosed