SCHEMBL8148203

SCHEMBL8148203

c1ccc(Nc2c3ccccc3cc3ccccc23)c(Nc2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
ALDH1A1 P00352 5/20 0.43
CDC25B P30305 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
POLB P06746 1/20 0.42
HTR2A P28223 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 3/20 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
SCHEMBL27531768 0.89 ALDH1A1 (0.59) ALDH1A1CDC25BHSD17B10HPGDCYP3A4
SCHEMBL2837802 0.87 ALDH1A1 (0.48) KDM1AALDH1A1CDC25BHSD17B10HPGD
SCHEMBL21037491 0.86 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDTP53L3MBTL1
SCHEMBL8148202 0.81 KDM1A (0.54) KDM1AALDH1A1CDC25BHSD17B10HPGD
SCHEMBL3287371 0.79 KDM1A (0.63) KDM1AALDH1A1CDC25BHSD17B10HPGD
SCHEMBL12302114 0.76 HSD17B10 (0.65) ALDH1A1CDC25BHSD17B10HPGDCYP3A4
SCHEMBL29444854 0.76 HSD17B10 (0.65) ALDH1A1CDC25BHSD17B10HPGDCYP3A4
SCHEMBL1923154 0.74 TSHR (0.52) ALDH1A1CDC25BHSD17B10HPGDCYP3A4
SCHEMBL23294047 0.73 HTR2A (0.48) ALDH1A1HSD17B10HPGDCYP3A4TP53
SCHEMBL28839836 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDCYP3A4TSHR

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-6034206-A POLYANILINES; HEAT, CHEMICAL AND SOLVENT RESISTANCE TOSOH CORPORATION (JP) 2000-03-07 US disclosed