SCHEMBL30367635

SCHEMBL30367635

Nc1cc(OCc2ccccc2)ccc1C(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.53
SRD5A2 P31213 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
MAOB P27338 6/20 0.52
PARP10 Q53GL7 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
PTGES O14684 1/20 0.52
MAOA P21397 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL23888024 1.00 NR4A2 (0.53) NR4A2SRD5A2HDAC1HDAC2MAOB
SCHEMBL10784972 0.82 SRD5A2 (0.77) NR4A2SRD5A2MAOBPARP10KMT2A
SCHEMBL5377638 0.81 SRD5A2 (0.58) NR4A2SRD5A2MAOBPARP10KMT2A
SCHEMBL7914507 0.81 SRD5A2 (0.66) NR4A2SRD5A2MAOBPARP10PTGES
SCHEMBL5495792 0.81 MAOB (0.60) NR4A2SRD5A2MAOBPARP10KMT2A
SCHEMBL162815 0.80 PARP10 (0.60) NR4A2MAOBPARP10KMT2AMEN1
SCHEMBL401103 0.80 SRD5A2 (0.59) NR4A2SRD5A2MAOBPARP10KMT2A
SCHEMBL4979325 0.79 TUBB4A (0.50) MAOB
SCHEMBL2686883 0.79 PTGES (0.70) NR4A2SRD5A2MAOBPARP10KMT2A
Hydrochloric Acid SCHEMBL7249802 0.78 MAOB (0.72) MAOBPARP10MAOA

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-115697969-A 7-or 8-hydroxy-isoquinoline and 7-or 8-hydroxy-quinoline derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-03 CN disclosed