SCHEMBL6760088

SCHEMBL6760088

CCCCCCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
KMT2A Q03164 4/20 0.62
CYP2C19 P33261 3/20 0.62
CYP2C9 P11712 2/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK3 P27361 1/20 0.53
ASAH1 Q13510 1/20 0.53
SQOR Q9Y6N5 1/20 0.53
MAPT P10636 1/20 0.53
TK1 P04183 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46

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
SCHEMBL10976239 0.98 CYP1A2 (0.60) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL11093962 0.93 LMNA (0.60) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL13199362 0.86 LMNA (0.63) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL591921 0.82 LMNA (0.51) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL10337895 0.82 TK1 (0.65) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL6883307 0.82 TK1 (0.65) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL18226895 0.82 TK1 (0.65) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL6890252 0.82 TK1 (0.65) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL11397970 0.82 SMN1; SMN2 (0.51) CYP1A2KMT2ACYP2C19CYP2C9MEN1
SCHEMBL11034809 0.81 LMNA (0.48) CYP1A2KMT2ACYP2C19CYP2C9MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1625602-A Method for selecting drug sensitivity decision factor and method for predetermining drug sensitivity using the selected factor HOFFMANN LA ROCHE (CH) 2005-06-08 CN disclosed
US-6720337-B2 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroxlmic acid derivative N-GENE RESEARCH LABORATORIES, INC. 2004-04-13 US disclosed
US-6440998-B1 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroximic acid derivative N-GENE RESEARCH LABORATORIES, INC. 2002-08-27 US disclosed