SCHEMBL23401623

SCHEMBL23401623

CC(C)Cc1nn(C(C)C)c(-c2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 1/20 0.40
P2RY6 Q15077 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MPO P05164 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 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
SCHEMBL23398444 0.87 HTR2A (0.43) HTR2AHTR2CHTR2BGABRA1GABRB2
SCHEMBL23400795 0.86 HTR2A (0.43) HTR2AHTR2CHTR2BPOLBP2RY6
SCHEMBL23400346 0.85 SRC (0.39) POLBGABRA1GABRB2KDM4EHPGD
SCHEMBL23400186 0.84 HTR2A (0.44) HTR2AHTR2CHTR2BPOLBP2RY6
SCHEMBL23400632 0.83 RECQL (0.40) GABRA1GABRB2KDM4EHPGDUSP2
SCHEMBL23402284 0.82 HTR2A (0.43) HTR2AHTR2CHTR2BGABRA1GABRB2
SCHEMBL23402499 0.82 CNR2 (0.39) GABRA1GABRB2KDM4EHPGDUSP2
SCHEMBL23401991 0.81 HPGD (0.36) POLBGABRA1GABRB2KDM4EHPGD
SCHEMBL23402207 0.81 HTR2A (0.39) HTR2AHTR2CHTR2BPOLBP2RY6
SCHEMBL23398558 0.81 CYP2C9 (0.44) HTR2AHTR2CHTR2BALDH1A1

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