SCHEMBL6826481

SCHEMBL6826481

COc1cc(O)nc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HPGD P15428 1/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL2627831 0.82 KDM4E (0.37) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2
SCHEMBL1759453 0.79 CCNE2 (0.36) KDM4EALDH1A1GAACCNE2CDK4
SCHEMBL23704951 0.77 SMN1; SMN2 (0.37) KDM4EALDH1A1GAACYP1A2LMNA
SCHEMBL29868118 0.77 SMN1; SMN2 (0.37) KDM4EALDH1A1GAACYP1A2LMNA
SCHEMBL17542095 0.75 TDP1 (0.60) KDM4EALDH1A1CYP1A2LMNATDP1
SCHEMBL6826490 0.74 LMNA (0.35) GAACYP1A2LMNASMN1; SMN2L3MBTL1
SCHEMBL26699075 0.74 PDE4A (0.36) KDM4EALDH1A1GAACYP1A2LMNA
SCHEMBL10889888 0.74 HSP90AA1 (0.39) KDM4ECCNE2CDK4CCND1CCNE1
SCHEMBL18978202 0.74 KDM4E (0.39) KDM4EALDH1A1GAACYP1A2LMNA
SCHEMBL3109540 0.73 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2LMNASMN1; SMN2

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-2004111000-A2 PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2004-12-23 WO disclosed