SCHEMBL31058417

SCHEMBL31058417

C[C@@H](CCCn1ccc2ccccc2c1=O)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.41
▸ TNF P01375 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ PSMB1 P20618 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL25320149 0.86 TIPARP (0.45) TIPARPDGAT1
SCHEMBL25320156 0.86 TIPARP (0.45) TIPARPDGAT1
SCHEMBL30550644 0.86 TIPARP (0.45) TIPARPDGAT1
SCHEMBL30550713 0.85 TIPARP (0.41) TIPARPDGAT1
SCHEMBL25321245 0.85 TIPARP (0.41) TIPARPDGAT1
SCHEMBL30550711 0.85 TIPARP (0.41) TIPARPDGAT1
SCHEMBL25323199 0.84 TIPARP (0.42) TIPARPDGAT1
SCHEMBL26782297 0.84 TIPARP (0.39) TIPARPDGAT1
SCHEMBL25323197 0.84 TIPARP (0.42) TIPARPDGAT1
SCHEMBL25321118 0.83 TIPARP (0.58) TIPARPDGAT1

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
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
Send feedback