SCHEMBL25899908

SCHEMBL25899908

CCCCCn1ccc2cc(-c3ncc(C(F)F)c(N)n3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.51
▸ TNF P01375 5/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.32

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
SCHEMBL25899897 0.90 TIPARP (0.51) TIPARPTNFNPC1RAB9ASMN1; SMN2
SCHEMBL25899875 0.86 TIPARP (0.50) TIPARPTNFGRM2TLR8
SCHEMBL25899853 0.86 TIPARP (0.60) TIPARPTNFSMN1; SMN2GRM2TLR8
SCHEMBL25899939 0.86 NPC1 (0.39) TIPARPTNFNPC1RAB9ASMN1; SMN2
SCHEMBL26787748 0.85 TIPARP (0.59) TIPARPTNFSMN1; SMN2GRM2TLR8
SCHEMBL26789113 0.85 TIPARP (0.48) TIPARPTNFGRM2L3MBTL1TLR8
SCHEMBL25900007 0.85 TIPARP (0.37) TIPARPSMN1; SMN2GRM2TLR8KDM4E
SCHEMBL25899110 0.84 TIPARP (0.47) TIPARPTNFGRM2L3MBTL1TLR8
SCHEMBL25898391 0.84 TIPARP (0.46) TIPARPTNFNPC1RAB9ASMN1; SMN2
SCHEMBL25898605 0.82 TIPARP (0.49) TIPARPTNFNPC1RAB9ASMN1; SMN2

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
Send feedback