SCHEMBL30823746

SCHEMBL30823746

COc1cc(Br)ccc1/C=C/[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.54
MAPT P10636 7/20 0.54
ALDH1A1 P00352 6/20 0.54
LMNA P02545 5/20 0.54
MAPK1 P28482 3/20 0.54
HTT P42858 2/20 0.54
MITF O75030 1/20 0.54
HSP90AA1 P07900 1/20 0.54
VCP P55072 6/20 0.53
NPSR1 Q6W5P4 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
SYK P43405 2/20 0.49
GALR2 O43603 1/20 0.49
EGFR P00533 1/20 0.49
FBP1 P09467 2/20 0.45
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
HPGD P15428 3/20 0.43
NTSR1 P30989 2/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL1804005 1.00 PRMT1 (0.54) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL1569821 1.00 PRMT1 (0.54) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL8639564 0.88 VCP (0.56) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL8639566 0.88 VCP (0.56) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL34462827 0.88 VCP (0.56) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL22027897 0.84 LMNA (0.59) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL22027898 0.84 LMNA (0.59) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL3100253 0.83 CYP1A2 (0.66) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL3100263 0.83 CYP1A2 (0.66) PRMT1MAPTALDH1A1LMNAMAPK1
SCHEMBL20563457 0.81 MAPT (0.49) PRMT1MAPTALDH1A1LMNAMAPK1

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
CN-111655681-B Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases 莱德克斯制药公共有限公司 2024-01-05 CN disclosed