SCHEMBL29176199

SCHEMBL29176199

C[Si](C)(C)C#Cc1cc([N+](=O)[O-])cc2c1cnn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CREBBP Q92793 1/20 0.34
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATR Q13535 2/20 0.31
▸ MITF O75030 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL30811805 1.00 RXRA (0.38) RXRARXRBRXRGCREBBPCYP4F2
SCHEMBL30811693 0.86 RXRA (0.37) RXRARXRBRXRGCREBBPCYP4F2
SCHEMBL30811774 0.83 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29176230 0.83 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19915967 0.83 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811785 0.81 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29176187 0.81 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811848 0.81 CYP1A2 (0.31) CYP4F2CYP4A11CYP1A2HPGD
SCHEMBL30811729 0.80 RXRA (0.39) RXRARXRBRXRGCREBBPCYP4F2
SCHEMBL29176203 0.80 RXRA (0.39) RXRARXRBRXRGCREBBPCYP4F2

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-117720533-A MetTL3 inhibitor compound and pharmaceutical composition and application thereof 北京华益健康药物研究中心 2024-03-19 — — CN disclosed
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