SCHEMBL30168484

SCHEMBL30168484

CC(=O)c1ccccc1NC(=O)c1nc(C#N)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL30168479 0.82 KCNQ3 (0.40) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL31087263 0.76 KDR (0.53) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL30168480 0.75 ALOX15 (0.38) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL29643927 0.70 POLB (0.49) KMT2AMEN1ALDH1A1GAACA2
SCHEMBL28615124 0.70 POLB (0.49) KMT2AMEN1ALDH1A1GAACA2
SCHEMBL239212 0.69 KDM4E (0.45) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL16088601 0.69 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL20599378 0.69 PDE4A (0.38) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL25009031 0.68 SOS2 (0.37) KMT2AMEN1ALDH1A1GAA
SCHEMBL25010840 0.68 MEN1 (0.42) KMT2AMEN1ALDH1A1GAAMAPT

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-4380928-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics Inc. (US) 2024-06-12 EP disclosed
WO-2023014861-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. (US) 2023-02-09 WO disclosed