SCHEMBL23538121

SCHEMBL23538121

COC(=O)c1nc(C(=O)c2c[nH]c3cc(C(OC)OCC[Si](C)(C)C)ccc23)sc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR4A2 P43354 5/20 0.36
TUBB1 Q9H4B7 2/20 0.32
NPC1 O15118 1/20 0.32
CREBBP Q92793 1/20 0.31
ROCK2 O75116 4/20 0.31
ROCK1 Q13464 4/20 0.31
NR1I2 O75469 1/20 0.31
AHR P35869 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
PYGL P06737 1/20 0.30

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
SCHEMBL23538279 0.84
SCHEMBL23538235 0.77 TUBB1 (0.55) MAPTMEN1KMT2ANR4A2TUBB1
SCHEMBL23551352 0.75 MEN1 (0.65) MAPTMEN1KMT2ANR4A2NPC1
SCHEMBL23538127 0.74 MEN1 (0.54) MAPTMEN1KMT2ANR4A2TUBB1
SCHEMBL23538286 0.70 ALDH1A1 (0.48) MAPT
SCHEMBL23538056 0.67 NPC1 (0.49) MAPTMEN1KMT2ANR4A2TUBB1
SCHEMBL22644112 0.64 MEN1 (0.66) MAPTMEN1KMT2ANR4A2NPC1
SCHEMBL23538300 0.64 KMT2A (0.62) MAPTMEN1KMT2ANR4A2CREBBP
SCHEMBL23551126 0.64 MEN1 (0.62) MAPTMEN1KMT2ANR4A2NPC1
SCHEMBL23551200 0.63 KMT2A (0.65) MAPTMEN1KMT2ANR4A2CREBBP

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-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed