SCHEMBL7693295

SCHEMBL7693295

Nc1cc([C@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(Oc3ccnc4cc(C(F)(F)F)ccc34)cc2)ccc1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
TNNI3K Q59H18 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
CETP P11597 1/20 0.33
FFAR1 O14842 1/20 0.33
LIPE Q05469 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PSEN1 P49768 1/20 0.32
PDGFRB P09619 1/20 0.31
PTGER1 P34995 2/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7692700 0.91 LPAR1 (0.33) KDRPDGFRB
SCHEMBL7692701 0.91 LPAR1 (0.33) KDRPDGFRB
SCHEMBL7688302 0.90 PDGFRA (0.37) KDR
SCHEMBL7688304 0.90 PDGFRA (0.37) KDR
SCHEMBL7691028 0.89 KDR (0.33) BRAFKDRMAPK14TNNI3KMAPT
SCHEMBL7691026 0.89 KDR (0.33) BRAFKDRMAPK14TNNI3KMAPT
SCHEMBL6479065 0.88 LPAR1 (0.34) KDRPDGFRB
SCHEMBL6479054 0.88 LPAR1 (0.34) KDRPDGFRB
SCHEMBL6493560 0.82 ADAMTS4 (0.37) MAPK14PTGESALOX5PSEN1
SCHEMBL6493557 0.82 ADAMTS4 (0.37) MAPK14PTGESALOX5PSEN1

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed