SCHEMBL3715166

SCHEMBL3715166

COC(=O)c1cncc(-c2ccc(-c3ccccc3)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP2A6 P11509 1/20 0.50
SLC2A1 P11166 1/20 0.49
SGK1 O00141 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
CYP19A1 P11511 1/20 0.46
CTSA P10619 2/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
ATM Q13315 1/20 0.44
PDK2 Q15119 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NEK1 Q96PY6 1/20 0.44

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
SCHEMBL3719632 0.85 MKNK1 (0.52) CYP11B1CYP11B2CTSAAXLKAT6A
SCHEMBL9008962 0.84 CYP11B1 (0.61) EGFRCYP11B1CYP11B2CYP2A6SGK1
SCHEMBL3711194 0.84 HDAC1 (0.56) CTSAKAT6AABCB1
SCHEMBL1051864 0.80 CYP2A6 (0.50) CYP11B1CYP11B2CYP2A6ATMPDGFRB
SCHEMBL2906199 0.78 CYP11B1 (0.62) CYP11B1CYP11B2CYP2A6ATMNPC1
SCHEMBL30702670 0.77 EGFR (0.61) EGFRPDK2NPC1RAB9AACLY
SCHEMBL3709350 0.77 KDM4E (0.56) EGFRSGK1CAMKK2GABRG2GABRB3
SCHEMBL3713278 0.76 CYP11B1 (0.64) CYP11B1CYP11B2CYP2A6SGK1CAMKK2
SCHEMBL1054060 0.76 CYP11B2 (0.62) CYP11B1CYP11B2CYP2A6ATM
SCHEMBL13188366 0.76 CYP11B1 (0.67) CYP11B1CYP11B2CYP2A6SLC2A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed