SCHEMBL8935404

SCHEMBL8935404

NCCC(=O)NCc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
ALOX15 P16050 2/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 2/20 0.48
HDAC1 Q13547 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL8935330 0.82 EPHX2 (0.57) MAPTALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL8935415 0.81 CARM1 (0.58) PARP10ALOX15HPGDMAPTALDH1A1
SCHEMBL8935259 0.79 CYP3A4 (0.60) MAPTALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL8935432 0.79 SCN3A (0.66) PARP10ALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL8935279 0.78 MAOB (0.60) MAPTALDH1A1SMN1; SMN2TSHRRECQL
SCHEMBL23291160 0.77 HRH1 (0.58) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL1680759 0.76 PARP10 (0.60) PARP10ALDH1A1SMN1; SMN2KDM4EMAOB
SCHEMBL19380041 0.76 TSHR (0.59) PARP10ALOX15HPGDALDH1A1SMN1; SMN2
SCHEMBL1681064 0.76 PARP10 (0.49) PARP10ALOX15HPGDTDP1ALDH1A1
SCHEMBL7396633 0.76 SCN9A (0.65) PARP10MAOB

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed