SCHEMBL7186569

SCHEMBL7186569

O=C(CCC1CCCCC1)NCC(O)(CCc1ccccc1)c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 1/20 0.40
PTGES O14684 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 2/20 0.38
CSNK1D P48730 1/20 0.38
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MLYCD O95822 1/20 0.36
ASAH1 Q13510 1/20 0.36
CNR2 P34972 1/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL7045923 0.88 KMT2A (0.46) MEN1KMT2ARAB9APTGESHPGD
SCHEMBL7045443 0.88 MEN1 (0.45) MEN1KMT2ARAB9AEPHX2HPGD
SCHEMBL7042908 0.85 DAGLA (0.47) MEN1KMT2ARAB9AHPGDASAH1
SCHEMBL27563540 0.82 PTGES (0.38) MEN1KMT2APTGESHPGDCSNK1D
SCHEMBL6463984 0.77 DAGLA (0.40) RAB9AKDM4EASAH1
SCHEMBL7049339 0.77 CTSS (0.53) MEN1KMT2ARAB9APTGESEPHX2
SCHEMBL7049306 0.76 DAGLA (0.44) MEN1KMT2ARAB9AHPGDKDM4E
SCHEMBL7186564 0.76 MMP1 (0.39) MEN1KMT2ARAB9APTGESEPHX2
SCHEMBL7047959 0.75 MEN1 (0.44) MEN1KMT2ARAB9AEPHX2HPGD
SCHEMBL7049340 0.74 MEN1 (0.39) MEN1KMT2ARAB9APTGESHPGD

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-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed