SCHEMBL9470576

SCHEMBL9470576

O=C(c1ccc(F)cc1)C(I)c1ncc(C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
GSK3B P49841 1/20 0.38
MAPK1 P28482 1/20 0.38
VNN1 O95497 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
EGFR P00533 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL8303473 0.70 AGBL2 (0.47) KMT2AMEN1GSK3BVNN1TRPM8
SCHEMBL30134103 0.67 KMT2A (0.46) KMT2AMEN1MAPK1SMN1; SMN2KDM4E
SCHEMBL31064634 0.67 KMT2A (0.46) KMT2AMEN1MAPK1SMN1; SMN2KDM4E
SCHEMBL12303237 0.67 KMT2A (0.44) KMT2AMEN1MAPK1SMN1; SMN2KDM4E
SCHEMBL18172003 0.65 ALDH1A1 (0.41) KMT2AMEN1MAPK1SMN1; SMN2KDM4E
SCHEMBL29106434 0.64 KMT2A (0.42) KMT2AMEN1MAPK1SMN1; SMN2KDM4E
SCHEMBL9927090 0.64 SMN1; SMN2 (0.47) KMT2AMEN1MAPK1SMN1; SMN2KDM4E
SCHEMBL9471473 0.64 S1PR3 (0.44) KMT2AVNN1SMN1; SMN2LMNA
SCHEMBL609041 0.64 ALDH1A1 (0.40) KMT2ATRPM8SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL31064662 0.63 KMT2A (0.41) KMT2AMEN1MAPK1SMN1; SMN2KDM4E

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-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 US disclosed