SCHEMBL9754491

SCHEMBL9754491

O=C(O)CC(=O)Nc1c(F)cccc1F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NLRP3 Q96P20 1/20 0.45
THRB P10828 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7138050 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1KDM4ENLRP3
SCHEMBL16332165 0.82 KMT2A (0.51) KMT2AALDH1A1MEN1KDM4ENLRP3
SCHEMBL7464196 0.82 KMT2A (0.54) KMT2AALDH1A1MEN1KDM4ENLRP3
SCHEMBL14172844 0.80 SMN1; SMN2 (0.56) KMT2AALDH1A1MEN1SMN1; SMN2NLRP3
SCHEMBL14266385 0.80 KMT2A (0.53) KMT2AALDH1A1MEN1NLRP3LMNA
SCHEMBL9754154 0.80 FUCA1 (0.47) KMT2AALDH1A1MEN1SMN1; SMN2CYP3A4
SCHEMBL5805448 0.80 KMT2A (0.53) KMT2AALDH1A1MEN1NLRP3THRB
SCHEMBL5805446 0.80 KMT2A (0.53) KMT2AALDH1A1MEN1KDM4ENLRP3
SCHEMBL15145816 0.80 KMT2A (0.53) KMT2AALDH1A1MEN1NLRP3THRB
SCHEMBL1428912 0.80 KMT2A (0.53) KMT2AALDH1A1MEN1KDM4ENLRP3

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-1991015464-A1 AMIDE ESTER ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-10-17 WO claimed