SCHEMBL5826281

SCHEMBL5826281

c1ccc2c(c1)-c1c-2c2ccccc2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.40
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 2/20 0.37
TSHR P16473 2/20 0.37
CDC25B P30305 1/20 0.37
CYP1A2 P05177 5/20 0.37
MAPK1 P28482 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX12 P18054 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL8767393 0.86 MEN1 (0.42) ALDH1A1MEN1KMT2ATDP1HSD17B10
SCHEMBL359002 0.84 MEN1 (0.52) ALDH1A1MEN1KMT2ATDP1HSD17B10
Triphenylene SCHEMBL358941 0.81 MAPK1 (0.50) HPRT1ALDH1A1MEN1KMT2ATDP1
Triphenylene SCHEMBL28883804 0.81 MAPK1 (0.50) HPRT1ALDH1A1MEN1KMT2ATDP1
Triphenylene SCHEMBL15473664 0.80 HPRT1 (0.53) HPRT1ALDH1A1TDP1HSD17B10CYP2A6
SCHEMBL31415913 0.80 HPRT1 (0.50) HPRT1ALDH1A1MEN1KMT2ATDP1
SCHEMBL1263246 0.78 ALDH1A1 (0.59) HPRT1ALDH1A1MEN1KMT2ATDP1
SCHEMBL701595 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATDP1HSD17B10
SCHEMBL4762276 0.76 CRHBP (0.50) ALDH1A1MEN1KMT2AHSD17B10TSHR
SCHEMBL5850565 0.76 MEN1 (0.58) ALDH1A1MEN1KMT2ATDP1HSD17B10

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
JP-2006328006-A METHOD FOR PRODUCING DIBENZOBIPHENYLENE DERIVATIVE TOSOH CORP 2006-12-07 JP disclosed