SCHEMBL25899773

SCHEMBL25899773

CCCCCn1ccc2cc(-c3cc(C(F)(F)F)c(N)cn3)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.44
▸ TLR8 Q9NR97 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TNF P01375 3/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ KIT P10721 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL25898742 0.93 TIPARP (0.46) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL25899760 0.89 TIPARP (0.41) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL26796561 0.86 TIPARP (0.43) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL25897799 0.84 TIPARP (0.41) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL25899853 0.83 TIPARP (0.60) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL26787748 0.83 TIPARP (0.59) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL26796517 0.81 TIPARP (0.43) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL25898373 0.81 NPC1 (0.40) TIPARPTLR8KDM4ESMN1; SMN2TNF
SCHEMBL25897832 0.80 TIPARP (0.49) TIPARPTLR8KDM4ELMNAMAPT
SCHEMBL25320970 0.79 TIPARP (0.72) TIPARP

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
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