SCHEMBL24967941

SCHEMBL24967941

Cc1cnc(N2CCN(C(=O)OCCc3c[nH]c(=O)c(C(F)(F)F)c3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 11/20 0.43
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL24968229 0.92 TIPARP (0.52) TIPARPHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24967947 0.90 TIPARP (0.46) TIPARPMAPTHPGDMEN1KMT2A
SCHEMBL24967955 0.89 TIPARP (0.42) TIPARPMAPTHPGDMEN1KMT2A
SCHEMBL24968854 0.88 TIPARP (0.42) TIPARPMAPTHPGDMEN1KMT2A
SCHEMBL24968853 0.87 TIPARP (0.41) TIPARPMAPTHPGDMEN1KMT2A
SCHEMBL24968235 0.85 WDR5 (0.37) TIPARP
SCHEMBL24968357 0.85 GPR119 (0.37) TIPARP
SCHEMBL24968347 0.85 WDR5 (0.37) TIPARP
SCHEMBL24968349 0.85 WDR5 (0.37) TIPARP
SCHEMBL24968351 0.85 MEN1 (0.54) TIPARPMAPTHPGDMEN1KMT2A

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
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed