SCHEMBL25898542

SCHEMBL25898542

CCCCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.48
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CNR2 P34972 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ TNF P01375 3/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ TLR8 Q9NR97 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SIK1 P57059 1/20 0.34
▸ SIK2 Q9H0K1 1/20 0.34
▸ SIK3 Q9Y2K2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL25897832 0.99 TIPARP (0.49) TIPARPLMNAHTTSMN1; SMN2KDM4E
SCHEMBL26793446 0.96 TIPARP (0.49) TIPARPLMNAHTTSMN1; SMN2KDM4E
SCHEMBL25900117 0.92 TIPARP (0.46) TIPARPLMNASMN1; SMN2TNFGRM2
SCHEMBL25907789 0.90 TIPARP (0.46) TIPARPLMNAHTTSMN1; SMN2KDM4E
SCHEMBL25902196 0.90 TIPARP (0.46) TIPARPLMNAKDM4EMAPTTNF
SCHEMBL25908053 0.89 TIPARP (0.45) TIPARPTNFSIK1SIK2SIK3
SCHEMBL25899151 0.89 TIPARP (0.46) TIPARPLMNAHTTSMN1; SMN2KDM4E
SCHEMBL25898391 0.89 TIPARP (0.46) TIPARPSMN1; SMN2KDM4EHDAC3HDAC1
SCHEMBL25899525 0.88 TIPARP (0.44) TIPARPHDAC1HDAC6GRM2SIK1
SCHEMBL25898622 0.88 TIPARP (0.43) TIPARPLMNAHTTSMN1; SMN2KDM4E

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