SCHEMBL8935407

SCHEMBL8935407

NC(=O)CC(N)Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.61
MAOB P27338 1/20 0.57
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
LTA4H P09960 3/20 0.46
GPR132 Q9UNW8 1/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL561827 0.83 MAOB (0.61) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL561829 0.83 MAOB (0.61) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8935335 0.82 MAOB (0.53) PARP10MAOBLTA4HLAP3
SCHEMBL8935262 0.80 ACACB (0.54) SMN1; SMN2LTA4HGPR132MAPK1RAB9A
SCHEMBL11610651 0.80 MAOB (0.59) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8935281 0.79 MAOB (0.56) MAOBLTA4HNPC1RAB9ALAP3
SCHEMBL8935436 0.79 SCN3A (0.61) PARP10MAOBCYP1A2LPAR1
SCHEMBL7339121 0.77 MAOB (0.54) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL7339113 0.77 MAOB (0.54) PARP10MAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL6682997 0.76 PARP10 (1.00) PARP10MAOBALDH1A1SMN1; SMN2KDM4E

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