SCHEMBL9757690

SCHEMBL9757690

NC(=O)c1cccc2c1CN(Cc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP2 Q9UGN5 3/20 0.48
ADRA1D P25100 1/20 0.46
OPRM1 P35372 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
SCHEMBL9757304 0.88 PARP1 (0.46) PARP1MEN1KMT2A
SCHEMBL6093402 0.82 MEN1 (0.52) MEN1KMT2A
SCHEMBL9537435 0.77 SIGMAR1 (0.46) MEN1KMT2A
SCHEMBL29870452 0.77 PNMT (0.58) MEN1KMT2A
SCHEMBL27959646 0.77 PNMT (0.58) MEN1KMT2A
Hydrochloric Acid SCHEMBL8330798 0.76 SIGMAR1 (0.44) MEN1KMT2A
Bicarbonate SCHEMBL3912775 0.75 ACACB (0.47)
SCHEMBL9757228 0.75 OPRL1 (0.46)
SCHEMBL9757453 0.75 PTGER4 (0.46)
SCHEMBL16693831 0.74 SIGMAR1 (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed