SCHEMBL25398588

SCHEMBL25398588

NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.59
PARP3 Q9Y6F1 1/20 0.59
PARP15 Q460N3 4/20 0.50
DGAT1 O75907 1/20 0.46
SCN9A Q15858 2/20 0.43
SCN4A P35499 1/20 0.43
PARP14 Q460N5 3/20 0.43
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
P2RX3 P56373 1/20 0.39
SOS1 Q07889 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL3692809 0.83 PARP10 (0.61) PARP10PARP3PARP15SCN9ASCN4A
SCHEMBL28260959 0.83 PARP10 (0.56) PARP10PARP15DGAT1SCN9APARP14
SCHEMBL15653294 0.82 DGAT1 (0.56) PARP10PARP3PARP15DGAT1PARP14
SCHEMBL1874234 0.80 PARP10 (0.50) PARP10PARP3PARP15SCN9ASCN4A
SCHEMBL4238777 0.80 PARP10 (0.50) PARP10PARP15DGAT1SCN9APARP14
SCHEMBL31238504 0.79 SOS1 (0.54) PARP10PARP3KMT2AALDH1A1POLB
SCHEMBL4853836 0.79 SOS1 (0.54) PARP10PARP3KMT2AALDH1A1POLB
SCHEMBL3691759 0.77 PARP10 (0.51) PARP10PARP15DGAT1PARP14KMT2A
SCHEMBL1874719 0.77 PARP10 (0.54) PARP10PARP3PARP15PARP14KMT2A
SCHEMBL3696878 0.77 PARP10 (0.53) PARP10PARP3PARP15SCN9ASCN4A

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
EP-4489748-A1 PURE FORMS OF CRYSTALLINE ATICAPRANT Janssen Pharmaceuticals, Inc. (US) 2025-01-15 EP disclosed
WO-2023170547-A1 PURE FORMS OF CRYSTALLINE ATICAPRANT Janssen Pharmaceuticals, Inc. (US) 2023-09-14 WO disclosed