SCHEMBL25378249

SCHEMBL25378249

O=C(NCc1ccc(C(F)(F)F)cc1)C(=O)NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.50
P2RX7 Q99572 2/20 0.48
MTOR P42345 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
RAB9A P51151 2/20 0.47
LSS P48449 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL13247314 0.81 RAB9A (0.54) P2RX7MTORKCNH2RAB9ALSS
SCHEMBL15682657 0.78 MTOR (0.52) P2RX7MTORLSSALDH1A1HDAC3
SCHEMBL5556152 0.77 BCHE (0.64) TEAD1HRH3RAB9AALDH1A1KMT2A
SCHEMBL3417449 0.76 LSS (0.56) P2RX7MTORKCNH2LSSHDAC3
SCHEMBL4576236 0.76 MTOR (0.54) P2RX7MTORLSSHDAC3HDAC1
SCHEMBL4979582 0.76 SLC6A5 (0.59) TEAD1KCNH2RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL218521 0.76 BCHE (0.62) TEAD1HRH3RAB9AALDH1A1KMT2A
SCHEMBL14342817 0.76 EPHX1 (0.45) TEAD1KCNH2HRH3RAB9ANPC1
SCHEMBL20593592 0.76 HDAC6 (0.69) HDAC1HDAC8HDAC6
SCHEMBL24575984 0.76 MTOR (0.69) MTORLSSSMN1; SMN2KMT2AHDAC3

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-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed