SCHEMBL9514445

SCHEMBL9514445

O=C(c1ccc(F)cc1)c1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
HDAC6 Q9UBN7 12/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 3/20 0.57
HDAC3 O15379 5/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC2 Q92769 4/20 0.55
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FASN P49327 1/20 0.53
HSPD1 P10809 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN5 P54829 1/20 0.52

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
SCHEMBL1675515 0.89 MAPT (0.65) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL19029271 0.85 HDAC6 (0.81) MAPTHDAC6HDAC3HDAC1HDAC8
SCHEMBL19945200 0.84 HDAC6 (0.71) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL9820132 0.84 MAPT (0.60) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL5638115 0.84 MAPT (0.70) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL13254495 0.81 KDM4E (0.59) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL28381958 0.81 HDAC6 (0.61) MAPTHDAC6SMN1; SMN2TP53HDAC3
SCHEMBL28382537 0.81 HDAC6 (0.61) MAPTHDAC6SMN1; SMN2TP53HDAC3
SCHEMBL28380321 0.81 MAPT (0.50) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1
SCHEMBL9289255 0.81 MAPT (0.56) MAPTHDAC6SMN1; SMN2KDM4EALDH1A1

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
JP-5017458-A None JP disclosed
JP-H0517458-A AROMATIC COMPOUND AND ITS PRODUCTION IDEMITSU KOSAN CO LTD 1993-01-26 JP disclosed