SCHEMBL31413286

SCHEMBL31413286

CC1(C)CNCCN1C(=O)c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.63
DHODH Q02127 2/20 0.63
PARP2 Q9UGN5 2/20 0.54

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
SCHEMBL31413212 0.89 PARP1 (0.63) PARP1DHODHPARP2
SCHEMBL31413270 0.83 PARP1 (0.82) PARP1DHODHPARP2
Hydrochloric Acid SCHEMBL31413181 0.82 PARP1 (0.80) PARP1DHODHPARP2
SCHEMBL31413267 0.79 PARP1 (0.72) PARP1DHODHPARP2
SCHEMBL29790473 0.78 PARP1 (0.80) PARP1DHODHPARP2
SCHEMBL28840577 0.78 PARP1 (0.80) PARP1DHODHPARP2
SCHEMBL28840580 0.78 PARP1 (0.84) PARP1DHODHPARP2
SCHEMBL29790489 0.78 PARP1 (0.84) PARP1DHODHPARP2
SCHEMBL28840989 0.77 PARP1 (0.82) PARP1DHODHPARP2
SCHEMBL3580352 0.77 AURKB (0.68) PARP1DHODHPARP2

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
WO-2025042769-A1 COMPOUNDS AND METHODS FOR INHIBITING POLY(ADP-RIBOSE) POLYMERASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-02-27 WO claimed
WO-2025042769-A1 COMPOUNDS AND METHODS FOR INHIBITING POLY(ADP-RIBOSE) POLYMERASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-02-27 WO disclosed