SCHEMBL14615698

SCHEMBL14615698

O=C(CO)N1CCN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ PIK3CG P48736 7/20 0.48
▸ PIK3CD O00329 5/20 0.48
▸ PIK3R1 P27986 5/20 0.48
▸ PIK3CA P42336 5/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ TOP2A P11388 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TOP2B Q02880 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL14585959 0.92 KDM4E (0.51) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
Bicarbonate SCHEMBL11114446 0.88 KDM4E (0.52) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL14585963 0.84 KDM4E (0.52) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL17453757 0.84 KDM4E (0.49) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL7257590 0.83 KDM4E (0.54) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
Bicarbonate SCHEMBL10377652 0.82 ALDH1A1 (0.67) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10961565 0.82 KDM4E (0.54) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL14585956 0.82 ALDH1A1 (0.48) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
Bicarbonate SCHEMBL10873564 0.81 KDM4E (0.66) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1
SCHEMBL10818438 0.81 KDM4E (0.78) KDM4EALDH1A1PIK3CGPIK3CDPIK3R1

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-7176206-B2 Antibiotics DAR AL DAWA DEVELOPMENT AND INVESTMENT CO. (JO) 2007-02-13 — — US disclosed
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