SCHEMBL25898347

SCHEMBL25898347

CCCCCn1ccc2cc(-c3ccccn3)c(F)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ GRM2 Q14416 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TNF P01375 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CNR2 P34972 3/20 0.37
▸ TIPARP Q7Z3E1 2/20 0.37
▸ GLO1 Q04760 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL25898373 0.85 NPC1 (0.40) GRM2TLR8SMN1; SMN2NPC1RAB9A
SCHEMBL25898407 0.82 TIPARP (0.48) GRM2NPC1RAB9ATNFTIPARP
SCHEMBL25897799 0.82 TIPARP (0.41) GRM2TLR8SMN1; SMN2KDM4ETNF
SCHEMBL25899760 0.81 TIPARP (0.41) GRM2TLR8SMN1; SMN2NPC1RAB9A
SCHEMBL25898391 0.81 TIPARP (0.46) GRM2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25898617 0.79 TIPARP (0.41) GRM2TNFTIPARP
SCHEMBL25898123 0.79 GRM2 (0.43) GRM2TNFTIPARPHDAC3HDAC1
SCHEMBL25898742 0.77 TIPARP (0.46) GRM2TLR8SMN1; SMN2KDM4ETNF
SCHEMBL25897832 0.77 TIPARP (0.49) GRM2TLR8SMN1; SMN2NPC1RAB9A
SCHEMBL25899897 0.77 TIPARP (0.51) GRM2TLR8SMN1; SMN2NPC1RAB9A

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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