SCHEMBL31058433

SCHEMBL31058433

CCCCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)c(F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GRM2 Q14416 14/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TIPARP Q7Z3E1 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NR3C1 P04150 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
SCHEMBL25898093 0.97 LMNA (0.41) LMNAHTTTSHRGRM2KDM4E
SCHEMBL30550698 0.90 TIPARP (0.35) LMNAHTTTSHRGRM2TIPARP
SCHEMBL25320350 0.90 TIPARP (0.35) LMNAHTTTSHRGRM2TIPARP
Hydrochloric Acid SCHEMBL31058409 0.88 SIK2 (0.38) LMNAHTTGRM2KDM4EMAPT
Hydrochloric Acid SCHEMBL26658801 0.88 SIK2 (0.38) LMNAHTTGRM2KDM4EMAPT
SCHEMBL25898801 0.86 GRM2 (0.40) LMNAHTTGRM2KDM4EMAPT
SCHEMBL25898806 0.85 LMNA (0.40) LMNAHTTTSHRGRM2KDM4E
SCHEMBL25900478 0.84 GRM2 (0.32) GRM2
SCHEMBL25321271 0.84 TIPARP (0.33) TIPARP
SCHEMBL25321451 0.84 TIPARP (0.37) 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
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
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