SCHEMBL30176299

SCHEMBL30176299

Cc1cc(-n2c(C)c(C#N)c3cc(O)c(Br)cc32)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
USP14 P54578 1/20 0.31
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL23886793 1.00 KDM4E (0.33) KDM4ETSHRLMNAALDH1A1POLB
SCHEMBL26652990 0.90 KDM4E (0.36) KDM4ETSHRLMNAALDH1A1POLB
SCHEMBL23898401 0.89 KDM4E (0.35) KDM4ETSHRLMNAALDH1A1POLB
SCHEMBL23886911 0.86 LMNA (0.36) KDM4ETSHRLMNAALDH1A1POLB
SCHEMBL30176267 0.86 LMNA (0.36) KDM4ETSHRLMNAALDH1A1POLB
SCHEMBL23886831 0.79 ESR1 (0.34) KDM4ETSHRLMNAUSP14GAA
SCHEMBL28995439 0.79 KDM4E (0.33) KDM4ETSHRLMNAPOLBUSP14
SCHEMBL30176274 0.79 ESR1 (0.34) KDM4ETSHRLMNAUSP14GAA
SCHEMBL23898683 0.78 AS3MT (0.38) TSHRLMNAALDH1A1POLB
SCHEMBL23886677 0.76 KDM4E (0.34) KDM4ELMNAALDH1A1

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-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed