SCHEMBL2804593

SCHEMBL2804593

Cc1ccc(Nc2nc(Cl)nc3c2cnn3Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.52
GAA P10253 2/20 0.51
SRC P12931 2/20 0.50
ABL1 P00519 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
BCR P11274 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL16363280 0.82 ALDH1A1 (0.78) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL2805235 0.82 PRMT5 (0.49) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL2785338 0.80 SRC (0.56) GAASRCABL1BCRCYP1A2
SCHEMBL13087256 0.79 GAA (0.78) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL31194480 0.77 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL31194520 0.76 LMNA (0.59) ALDH1A1LMNAHPGDSMN1; SMN2KDM4E
SCHEMBL2786472 0.76 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL31194508 0.76 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL13087419 0.75 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL2810178 0.74 GAA (0.56) MAPTGAASRCABL1BCR

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed