SCHEMBL4557710

SCHEMBL4557710

O=C(Cc1ccccc1)Nc1ccncn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KDM6B O15054 1/20 0.54
KDM4D Q6B0I6 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
HSD17B10 Q99714 1/20 0.53
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
MAPK14 Q16539 4/20 0.50
WNT3A P56704 2/20 0.50
ELOVL1 Q9BW60 1/20 0.50

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
SCHEMBL4908980 0.82 KMT2A (0.82) DEGS1KMT2AMEN1SLC6A2SLC6A3
SCHEMBL4783915 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL20250651 0.79 ELOVL1 (0.65) DEGS1KMT2AMEN1SLC6A2SLC6A3
SCHEMBL6683882 0.79 LMNA (0.67) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2492016 0.79 EPHX2 (0.58) DEGS1KMT2AMEN1KDM6BKDM4D
SCHEMBL14920768 0.78 CHRNB2 (0.51) HSD17B10EPHX2GAACHRNB2CHRNB4
SCHEMBL8987947 0.77 CACNA1I (0.45) KMT2AMEN1SLC6A2SLC6A3ALDH1A1
SCHEMBL6361625 0.77 SMN1; SMN2 (0.47) HSD17B10EPHX2ALDH1A1GAAMAPT
SCHEMBL2685376 0.77 CHRNB2 (0.47) EPHX2GAACHRNB2CHRNB4CHRNA3
Benzene SCHEMBL11566961 0.77 EPHX2 (0.76) KMT2AMEN1KDM6BKDM4DKDM4C

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed