SCHEMBL30811751

SCHEMBL30811751

CN(C)Cc1cc(Br)c2cnn(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ CYP4F2 P78329 3/20 0.36
▸ CYP4A11 Q02928 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RET P07949 1/20 0.33
▸ PDE1A P54750 4/20 0.32
▸ PDE1B Q01064 4/20 0.32
▸ PDE1C Q14123 4/20 0.32
▸ PDE9A O76083 4/20 0.32
▸ ATR Q13535 3/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL30811788 0.84 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29176204 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811664 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30860811 0.81 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14723573 0.81 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30811750 0.79 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL14723428 0.79 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31652217 0.79 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31128164 0.78 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31128154 0.78 CYP4F2 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024056099-A1 METTL3 INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京华益健康药物研究中心 2024-03-21 — — WO disclosed
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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