SCHEMBL13699500

SCHEMBL13699500

N#Cc1ccc2nn(-c3cc(CCO)cc(C=O)c3O)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 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
SCHEMBL13699498 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13699469 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700471 0.83 ERN1 (0.36) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13699363 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700462 0.82 RORC (0.37) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13699501 0.81 ERN1 (0.36) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700473 0.81 ALDH1A1 (0.36) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13700474 0.80 MEN1 (0.48) ALDH1A1POLBMAPT
SCHEMBL13700459 0.80 POLB (0.35) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL13699492 0.80 ERN1 (0.37) KDM4EALDH1A1HPGDPOLBALOX15

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
EP-2103445-A1 Heat resistance improver and reversible thermosensitive recording medium Ricoh Company, Ltd. (JP) 2009-09-23 EP disclosed