SCHEMBL23398991

SCHEMBL23398991

CCCc1c(-c2ccccc2)c(O)nn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
IGF1R P08069 1/20 0.39
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
PDE5A O76074 1/20 0.36
TSHR P16473 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.36
POLB P06746 1/20 0.36
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35

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
SCHEMBL23401303 0.91 HSD11B1 (0.43) MAPTRECQLKDM4EGAAALDH1A1
SCHEMBL23400366 0.87 GRIA2 (0.43) MAPTRECQLKDM4EGAAALDH1A1
SCHEMBL23402831 0.86 GRIA2 (0.36) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL23400007 0.84 MAPT (0.40) MAPTKDM4EGAAALDH1A1TP53
SCHEMBL23401127 0.83 SMN1; SMN2 (0.39) MAPTKDM4EGAATP53KMT2A
SCHEMBL23401174 0.82 NR1H3 (0.47) MAPTKDM4EALDH1A1TSHRKMT2A
SCHEMBL23399550 0.81 USP2 (0.44) MAPTKDM4EGAAALDH1A1TP53
SCHEMBL23400507 0.80 SMN1; SMN2 (0.43) MAPTKDM4EGAAALDH1A1TP53
SCHEMBL23399221 0.79 MAPT (0.38) MAPTRECQLKDM4EALDH1A1TP53
SCHEMBL23400646 0.77 RECQL (0.44) MAPTRECQLKDM4EALDH1A1TP53

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