SCHEMBL31035236

SCHEMBL31035236

Cc1ccc2oc(N3CCC(F)(F)CC3)c(C)c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.42
ADRB2 P07550 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
ALPG P10696 1/20 0.39
NPC1 O15118 2/20 0.39
PIK3CA P42336 2/20 0.38
KMT2A Q03164 2/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 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
SCHEMBL30081607 0.90 AKT1 (0.46) PRKDCAKT1AKT2AKT3ALPG
SCHEMBL31035280 0.84 NPC1 (0.51) PRKDCALPGNPC1KMT2ANR2E3
SCHEMBL31035311 0.83 PRKDC (0.61) PRKDCALPGNPC1KMT2ANR2E3
SCHEMBL31035410 0.81 KDM4E (0.44) AKT1AKT2AKT3NPC1PIK3CA
SCHEMBL30081592 0.78 PIK3CA (0.48) PRKDCADRB2NPC1PIK3CAKMT2A
SCHEMBL31035343 0.77 PIM1 (0.40) AKT1AKT2AKT3PIK3CAKMT2A
SCHEMBL29003817 0.76 NPC1 (0.44) PRKDCAKT1AKT2AKT3ALPG
SCHEMBL31035177 0.75 AKT1 (0.55) AKT1AKT2AKT3PIK3CA
SCHEMBL31035887 0.75 AKT1 (0.50) AKT1AKT2AKT3PIK3CA
SCHEMBL31035324 0.75 AKT1 (0.52) AKT1AKT2AKT3PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed