SCHEMBL29535892

SCHEMBL29535892

Brc1cc2cnn(C3CCCCO3)c2cc1I

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
PIK3CD O00329 2/20 0.34
RET P07949 1/20 0.34
ATR Q13535 9/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL21856863 1.00 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL25648717 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL29509786 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL21197843 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL17588934 0.85 RXRA (0.48) RXRARXRBRXRGALDH1A1POLB
SCHEMBL20439390 0.85 RXRA (0.51) RXRARXRBRXRGALDH1A1POLB
SCHEMBL23884651 0.82 RXRA (0.47) RXRARXRBRXRGALDH1A1POLB
SCHEMBL23884443 0.82 RXRA (0.47) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31512795 0.82 RXRA (0.47) RXRARXRBRXRGALDH1A1POLB
SCHEMBL30251650 0.82 RXRA (0.47) RXRARXRBRXRGALDH1A1POLB

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
CN-114096542-B Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2024-09-10 CN disclosed
EP-3969440-A1 CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-03-23 EP disclosed