SCHEMBL7740044

SCHEMBL7740044

c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)c2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.36
L3MBTL1 Q9Y468 4/20 0.32
MAPT P10636 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TNF P01375 1/20 0.31
CYP1A2 P05177 2/20 0.31

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
SCHEMBL361063 0.95 SIGMAR1 (0.36) SIGMAR1L3MBTL1MAPTTDP1SLC6A2
SCHEMBL16098834 0.95 SIGMAR1 (0.36) SIGMAR1L3MBTL1MAPTTDP1SLC6A2
SCHEMBL27974883 0.86 PRKCZ (0.39) SIGMAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL25628788 0.86 SIGMAR1 (0.39) SIGMAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL27269993 0.85 CA12 (0.38) L3MBTL1MAPTTDP1KDM4EALDH1A1
SCHEMBL24999318 0.85 TNF (0.38) SIGMAR1TNFCYP1A2CYP2C9CYP2C19
SCHEMBL22255659 0.85 SIGMAR1 (0.35) SIGMAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL24999317 0.84 TNF (0.38) SIGMAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL360294 0.84 L3MBTL1 (0.39) L3MBTL1MAPTTDP1KDM4EALDH1A1
SCHEMBL8749954 0.84 L3MBTL1 (0.39) L3MBTL1MAPTTDP1KDM4EALDH1A1

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-20020034657-A1 Organic electroluminescence device NEC CORPORATION. 2002-03-21 US disclosed