SCHEMBL5718347

SCHEMBL5718347

C[n+]1ccn(CCCNc2ccc(OCCO)cc2[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HCAR3 P49019 3/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL5718219 0.94 MAPT (0.39) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL5718338 0.88 MAPT (0.46) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL5718453 0.83 MAPT (0.44) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
Water SCHEMBL5718501 0.82 MAPT (0.44) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL6151420 0.81 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL5718533 0.81 MAPT (0.55) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL5718214 0.81 ALDH1A1 (0.49) MAPTALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL5718294 0.80 BCL2 (0.41) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL2473470 0.78 TSHR (0.60) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6150869 0.78 ALDH1A1 (0.46) MAPTALDH1A1MAPK1SMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 — — EP claimed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 — — EP claimed
EP-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 — — EP disclosed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 — — EP disclosed
Send feedback