SCHEMBL30176267

SCHEMBL30176267

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
KDM1A O60341 2/20 0.32
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
USP14 P54578 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
SCHEMBL23886911 1.00 LMNA (0.36) LMNAGAAGFERKDM4ETSHR
SCHEMBL23898401 0.89 KDM4E (0.35) LMNAGAAGFERKDM4ETSHR
SCHEMBL23886793 0.86 KDM4E (0.33) LMNAGAAGFERKDM4ETSHR
SCHEMBL30176299 0.86 KDM4E (0.33) LMNAGAAGFERKDM4ETSHR
SCHEMBL26652990 0.81 KDM4E (0.36) LMNAGAAGFERKDM4ETSHR
SCHEMBL23886976 0.79 LMNA (0.36) LMNAGAAGFERKDM4ETSHR
SCHEMBL30337844 0.79 LMNA (0.36) LMNAGAAGFERKDM4ETSHR
SCHEMBL30176398 0.78 AS3MT (0.42) LMNATSHRKDM1AMAPT
SCHEMBL23886810 0.78 AS3MT (0.42) LMNATSHRKDM1AMAPT
SCHEMBL23886677 0.76 KDM4E (0.34) LMNAKDM4EALDH1A1

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