SCHEMBL23401752

SCHEMBL23401752

CC(C)(C)c1c(-c2ccccc2)c(O)nn1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.35
SRC P12931 2/20 0.35
MEN1 O00255 1/20 0.35
ABL1 P00519 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
P2RY6 Q15077 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RCE1 Q9Y256 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
SCHEMBL23401950 0.85 HPGD (0.37) SMN1; SMN2HPGDL3MBTL1SRCABL1
SCHEMBL23401633 0.81 SMN1; SMN2 (0.49) SMN1; SMN2HPGDPKMHKDC1L3MBTL1
SCHEMBL23401679 0.81 PKM (0.41) SMN1; SMN2HPGDPKMHKDC1L3MBTL1
SCHEMBL23402364 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HPGDPKMKMT2ASRC
SCHEMBL23403039 0.79 PKM (0.46) SMN1; SMN2HPGDPKMHKDC1L3MBTL1
SCHEMBL23402724 0.78 SMN1; SMN2 (0.45) SMN1; SMN2HPGDPKML3MBTL1KMT2A
SCHEMBL23402643 0.78 HPGD (0.45) SMN1; SMN2HPGDSRCABL1HTR2A
SCHEMBL23401603 0.78 KDM4E (0.40) SMN1; SMN2HPGDPKMHKDC1L3MBTL1
SCHEMBL23399361 0.77 SRC (0.44) SMN1; SMN2HPGDPKMHKDC1L3MBTL1
SCHEMBL23402090 0.73 HTR2A (0.44) SMN1; SMN2HPGDPKMKMT2ASRC

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