SCHEMBL1808855

SCHEMBL1808855

c1ccc(COc2ccc(Cc3[nH]nnc3-c3cccnc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
PRMT5 O14744 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
RAB9A P51151 1/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
MMP13 P45452 1/20 0.42
CYP19A1 P11511 1/20 0.41
BCHE P06276 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1957530 0.76 MAPK1 (0.61) MAPK1PRMT5MEN1KMT2ARAB9A
SCHEMBL18642527 0.75 NR1H2 (0.42) RAB9AKDM4EHPGDTDP1L3MBTL1
SCHEMBL2272875 0.71 NPC1 (0.63) MAPK1PRMT5KMT2ARAB9AKDM4E
SCHEMBL5583002 0.71 MAPK1 (0.56) MAPK1PRMT5MEN1KMT2ACYP11B1
SCHEMBL511781 0.70 RAB9A (0.58) MAPK1PRMT5MEN1KMT2ARAB9A
SCHEMBL1808853 0.68 TEK (0.69) MEN1KMT2ARAB9ACYP19A1
SCHEMBL1323646 0.68 RAB9A (0.62) MAPK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL7311175 0.68 MAPK1 (0.65) MAPK1MEN1KMT2ARAB9AGRM2
SCHEMBL30150593 0.68 RAB9A (0.62) MAPK1MEN1KMT2ARAB9AALDH1A1
SCHEMBL4506543 0.68 CYP11B2 (0.68) MAPK1PRMT5CYP11B1CYP11B2CYP19A1

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-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed