SCHEMBL30435641

SCHEMBL30435641

CC(C)NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.59
PTGES O14684 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LSS P48449 1/20 0.50
CCR1 P32246 1/20 0.45
AKR1C3 P42330 1/20 0.44
PYCR1 P32322 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
LMNA P02545 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TACR1 P25103 1/20 0.42
ALDH1A1 P00352 1/20 0.42
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL19013415 0.83 MTOR (0.63) MTORMEN1KMT2ALSSCCR1
SCHEMBL15651225 0.80 MTOR (0.43) MTORPTGESMEN1KMT2ALMNA
SCHEMBL12890606 0.80 NPC1 (0.61) MTORPTGESMEN1KMT2A
SCHEMBL3885499 0.77 HPGD (0.50) MTORMEN1KMT2ALSSPYCR1
SCHEMBL7390057 0.76 MTOR (0.55) MTORMEN1KMT2ALSSCCR1
SCHEMBL21789134 0.74 ALDH1A1 (0.66) MTORMEN1KMT2ALSSCCR1
SCHEMBL22522183 0.73 MTOR (0.46) MTORMEN1KMT2ALSSPYCR1
SCHEMBL30435151 0.73 MTOR (0.57) MTORMEN1KMT2ALSSALDH1A1
SCHEMBL3880049 0.73 RAB9A (0.51) MTORMEN1KMT2ALSSPYCR1
SCHEMBL12251427 0.71 MLYCD (0.71) LMNAALDH1A1

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
EP-4185296-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY Merck Sharp & Dohme LLC (US) 2023-05-31 EP disclosed