SCHEMBL25904911

SCHEMBL25904911

CCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)cc(F)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 16/20 0.43
▸ HSD17B13 Q7Z5P4 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ ACACB O00763 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
SCHEMBL25897776 0.89 GRM2 (0.46) GRM2
SCHEMBL25898732 0.79 GRM2 (0.51) GRM2
SCHEMBL25899525 0.77 TIPARP (0.44) GRM2HDAC1HDAC8HDAC6HDAC5
SCHEMBL31058433 0.73 LMNA (0.40) GRM2
SCHEMBL25898093 0.72 LMNA (0.41) GRM2
SCHEMBL25900478 0.71 GRM2 (0.32) GRM2
SCHEMBL25900117 0.70 TIPARP (0.46) GRM2
SCHEMBL25900464 0.69 GRM2 (0.32) GRM2
Hydrochloric Acid SCHEMBL31058409 0.69 SIK2 (0.38) GRM2
Hydrochloric Acid SCHEMBL26658801 0.69 SIK2 (0.38) GRM2

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