SCHEMBL23399221

SCHEMBL23399221

CC(C)Cc1c(-c2ccccc2)c(O)nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
POLB P06746 1/20 0.35
CDK8 P49336 1/20 0.35
ACVR1 Q04771 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
DPP4 P27487 3/20 0.34
LMNA P02545 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL23398440 0.83 BCL2 (0.34) SMN1; SMN2BCL2MCL1POLBKDM4E
SCHEMBL23401361 0.82 MEN1 (0.37) MAPTRECQLBCL2MCL1KDM4E
SCHEMBL23400366 0.82 GRIA2 (0.43) MAPTRECQLPOLBCDK8ACVR1
SCHEMBL23398980 0.82 CNR2 (0.38) SMN1; SMN2BCL2MCL1KDM4EALDH1A1
SCHEMBL23398655 0.82 SMN1; SMN2 (0.37) RECQLSMN1; SMN2BCL2MCL1KDM4E
SCHEMBL23402222 0.82 CACNA1H (0.43) MAPTSMN1; SMN2TP53MCL1POLB
SCHEMBL23398735 0.81 HPGD (0.42) SMN1; SMN2BCL2MCL1KDM4EALDH1A1
SCHEMBL23403345 0.80 NR1H3 (0.44) MAPTKDM4EALDH1A1NR1H3
SCHEMBL23398991 0.79 MAPT (0.39) MAPTRECQLSMN1; SMN2TP53POLB
SCHEMBL23399961 0.78 RECQL (0.47) MAPTRECQLSMN1; SMN2TP53POLB

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed