SCHEMBL5329077

SCHEMBL5329077

O=c1[nH]cnc2[nH]c(Nc3ccccc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
PIM2 Q9P1W9 1/20 0.46
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2623144 0.82 TK1 (0.47) PIM1
SCHEMBL28004905 0.79 POLA1 (0.44) GAAHTTTAAR1
SCHEMBL1286951 0.75
SCHEMBL3941170 0.68 ACHE (0.40) PIM1PIM2GAAKDM4EALDH1A1
SCHEMBL1992700 0.68 PARP1 (0.41) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL10518128 0.68 ALDH1A1 (0.53) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL30289849 0.68 KDM4E (0.74) GAAKDM4EALDH1A1HPGDMEN1
SCHEMBL19690815 0.68 POLA1 (0.48) HTT
SCHEMBL24700878 0.68 MAPT (0.40) HTTHSD17B10SMN1; SMN2
SCHEMBL23139612 0.68 NPSR1 (0.38) HTTHSD17B10SMN1; SMN2

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-2007016450-A2 METHODS FOR TREATING OR PREVENTING REACTIVATION OF A LATENT HERPESVIRUS INFECTION BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2007-02-08 WO disclosed