SCHEMBL30811788

SCHEMBL30811788

C#Cc1cc(CN(C)C)cc2c1cnn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ CYP4F2 P78329 3/20 0.34
▸ CYP4A11 Q02928 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PDE1A P54750 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE1C Q14123 2/20 0.31
▸ PDE9A O76083 2/20 0.31
▸ ATR Q13535 2/20 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
SCHEMBL30811664 0.88 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29176204 0.88 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811751 0.84 RXRA (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19915965 0.80 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499056 0.80 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811724 0.80 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499382 0.79 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499396 0.78 ALDH1A1 (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499357 0.77 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22499151 0.76 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11

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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