SCHEMBL25898093

SCHEMBL25898093

CCCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)c(F)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM2 Q14416 12/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ TIPARP Q7Z3E1 2/20 0.36
▸ GLO1 Q04760 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
SCHEMBL31058433 0.97 LMNA (0.40) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25898801 0.89 GRM2 (0.40) LMNAHTTKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL31058409 0.89 SIK2 (0.38) LMNAHTTKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL26658801 0.89 SIK2 (0.38) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25898806 0.88 LMNA (0.40) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25320350 0.87 TIPARP (0.35) LMNAHTTGRM2TSHRTIPARP
SCHEMBL30550698 0.87 TIPARP (0.35) LMNAHTTGRM2TSHRTIPARP
SCHEMBL25898794 0.86 TIPARP (0.42) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25899251 0.85 TIPARP (0.46) LMNAHTTKDM4EMAPTSMN1; SMN2
SCHEMBL25321271 0.85 TIPARP (0.33) 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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