SCHEMBL20141439

SCHEMBL20141439

CC(C)(C)N(CCCc1ccccc1Br)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
RIPK1 Q13546 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
EGFR P00533 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5514821 0.81 KMT2A (0.48) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL23649245 0.80 TDP1 (0.46) CYP2C19SIGMAR1CYP1A2CYP2D6
SCHEMBL3005617 0.76 TAAR1 (0.46) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL27730950 0.76 TAAR1 (0.53) TAAR1GPR52TSHRHPGDSIGMAR1
SCHEMBL2574637 0.76 MEN1 (0.44) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL20141396 0.74 TAAR1 (0.49) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL4059871 0.74 TAAR1 (0.47) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL1027707 0.74 KMT2A (0.45) TAAR1MEN1KMT2AHTTL3MBTL1
SCHEMBL555604 0.73 TAAR1 (0.62) TAAR1MEN1KMT2AALDH1A1GPR52
SCHEMBL1690653 0.73 MEN1 (0.44) TAAR1MEN1KMT2AHTTL3MBTL1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed