SCHEMBL3713151

SCHEMBL3713151

Brc1cc(-c2ccc(-c3ccccc3)cc2)cc2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.48
TNF P01375 1/20 0.47
CYP19A1 P11511 3/20 0.45
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PRKCZ Q05513 2/20 0.43
PRKD2 Q9BZL6 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL3721376 0.80 GRM5 (0.40) CYP11B1CYP11B2CYP17A1
SCHEMBL2431769 0.78 CHRNB2 (0.51) HPGDCYP11B1CYP11B2CYP17A1NCOA3
SCHEMBL17691566 0.78 MAPK10 (0.49) MAPK10TNFCYP19A1KDM4EHTT
SCHEMBL16231499 0.76 CRHBP (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL30647528 0.76 CRHBP (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9825900 0.75 TNF (0.73) MAPK10TNFCYP19A1KDM4EHTT
SCHEMBL3714670 0.75 KDM4E (0.45) MAPK10CYP19A1KDM4EHTTNPC1
SCHEMBL23935177 0.74 MAPK10 (0.69) MAPK10TNFCYP19A1KDM4EHTT
SCHEMBL29650673 0.74 PRKCD (0.51) MAPTPRKCZPRKD2HASPINCCNT1
SCHEMBL3324615 0.74 PRKCD (0.51) MAPTPRKCZPRKD2HASPINCCNT1

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