SCHEMBL23081592

SCHEMBL23081592

CC(C)(C)OC(=O)NNCc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
RIPK1 Q13546 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NQO2 P16083 1/20 0.40
CYP3A4 P08684 1/20 0.40
SCN9A Q15858 1/20 0.40
RPS6KA1 Q15418 1/20 0.39
PTPN1 P18031 1/20 0.39
APLNR P35414 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL30525753 1.00 GPR119 (0.43) GPR119CTSSCTSKRIPK1LMNA
SCHEMBL6232571 0.89 RIPK1 (0.50) GPR119CTSSCTSKRIPK1LMNA
SCHEMBL26915519 0.86 GAA (0.41) GPR119CTSSCTSKRIPK1LMNA
SCHEMBL25416693 0.78 APLNR (0.41) CTSSCTSKLMNAPOLBNQO2
SCHEMBL14564600 0.78 TSHR (0.44) LMNAPOLBNQO2GAAMEN1
SCHEMBL7328664 0.78 HPGD (0.45) LMNAPOLBGAAMEN1NPC1
SCHEMBL30525728 0.78 GPR119 (0.43) GPR119CTSSCTSKRIPK1SCN9A
SCHEMBL23081322 0.78 GPR119 (0.43) GPR119CTSSCTSKRIPK1SCN9A
SCHEMBL3180198 0.78 ATM (0.53) CTSSCTSKNQO2GAAMEN1
SCHEMBL23151027 0.77 P2RX7 (0.43) RIPK1LMNAP2RX7MAOBMEN1

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-2021046515-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-11 WO disclosed