SCHEMBL29612925

SCHEMBL29612925

CC(C)(C)Nc1cc(Br)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
AAK1 Q2M2I8 2/20 0.39
IDO1 P14902 3/20 0.39
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
HDAC2 Q92769 2/20 0.36
GPR35 Q9HC97 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
PLAU P00749 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC3 O15379 1/20 0.31

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
SCHEMBL11938389 1.00 HDAC1 (0.42) HDAC1AAK1IDO1KDM4EGLA
SCHEMBL1957518 0.84 AAK1 (0.39) HDAC1AAK1IDO1KDM4EGLA
SCHEMBL29569681 0.77 HDAC1 (0.45) HDAC1AAK1IDO1KDM4EGLA
SCHEMBL931406 0.77 HDAC1 (0.45) HDAC1AAK1IDO1KDM4EGLA
SCHEMBL13788857 0.75 ALOX15 (0.38) IDO1ALDH1A1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL16277747 0.75 HDAC1 (0.44) HDAC1AAK1IDO1KDM4EGLA
Hydrochloric Acid SCHEMBL15158292 0.75 HDAC1 (0.44) HDAC1AAK1IDO1KDM4EGLA
SCHEMBL10082835 0.74 IDO1 (0.42) IDO1KDM4EMAPTALDH1A1POLB
SCHEMBL14864698 0.73 SIGMAR1 (0.45) IDO1KDM4EMAPTALDH1A1POLB
SCHEMBL13036599 0.73 HDAC2 (0.58) HDAC1KDM4EHDAC2MAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301357-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2024-01-10 EP disclosed
CN-117120051-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2023-11-24 CN disclosed
WO-2022187403-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. (US) 2022-09-09 WO disclosed
EP-4017875-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2022-06-29 EP disclosed
CN-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed