SCHEMBL23399277

SCHEMBL23399277

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RY6 Q15077 4/20 0.38
SRC P12931 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
ABL1 P00519 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL23400956 0.86 LMNA (0.39) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23399920 0.84 SRC (0.46) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23399849 0.83 RIPK2 (0.48) SMN1; SMN2HPGDLMNAALDH1A1SRC
SCHEMBL23400144 0.83 HTR2A (0.44) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23402906 0.81 TDP1 (0.46) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23398496 0.81 TDP1 (0.46) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23400470 0.81 HTR2A (0.46) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23400098 0.80 HTR2A (0.43) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23398986 0.79 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTR2AHTR2CHTR2B
SCHEMBL23403260 0.79 HTR2A (0.42) SMN1; SMN2HPGDHTR2AHTR2CHTR2B

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