SCHEMBL31336129

SCHEMBL31336129

CCC(=O)NCc1ccc2cc(C(=O)NS(=O)(=O)c3ccccc3F)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KAT6A Q92794 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 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
SCHEMBL26074523 0.85 TSHR (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL26074510 0.85 TSHR (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL26074530 0.85 TSHR (0.43) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL26073873 0.84 KAT6A (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL26073875 0.82 TSHR (0.41) TSHRALDH1A1MEN1KMT2ARAB9A
SCHEMBL26073928 0.80 HTR2C (0.43) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL26074325 0.80 HTT (0.42) TSHRALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL31336111 0.80 HTR2C (0.42) TSHRALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL26124834 0.80 HTR2C (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL31336172 0.79 BCAT1 (0.47) TSHRMEN1KMT2ANPC1RAB9A

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
CN-119301096-A Inhibitors of MYST family lysine acetyltransferase 伊索斯泰里克斯公司 2025-01-10 — — CN disclosed
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