SCHEMBL23399007

SCHEMBL23399007

Cc1c(O)cnn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
RECQL P46063 1/20 0.50
KDM4E B2RXH2 5/20 0.49
POLB P06746 2/20 0.47
BRD4 O60885 1/20 0.46
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.41
PFKFB3 Q16875 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL259540 0.81 TSHR (0.69) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL4361457 0.80 TSHR (0.57) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL21332896 0.79 TSHR (0.53) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL23403491 0.79 TSHR (0.49) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL26636843 0.79 TSHR (0.56) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL17397366 0.79 TSHR (0.56) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL17619656 0.79 TSHR (0.65) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL15555006 0.79 TSHR (0.65) TSHRRECQLKDM4EPOLBBRD4
SCHEMBL6052538 0.78 KMT2A (0.55) TSHRRECQLKDM4EPOLBHSD17B10
SCHEMBL14343976 0.77 MAPK1 (0.56) TSHRRECQLKDM4EPOLBALDH1A1

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