SCHEMBL6151420

SCHEMBL6151420

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HCAR3 P49019 2/20 0.39
▸ KAT2B Q92831 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ PRSS1 P07477 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SLC2A1 P11166 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
SCHEMBL7666964 0.93 ALDH1A1 (0.54) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL6150869 0.89 ALDH1A1 (0.46) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL7664536 0.83 ALDH1A1 (0.40) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL5718347 0.81 MAPT (0.42) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL5718533 0.81 MAPT (0.55) ALDH1A1TDP1SMN1; SMN2MAPTKAT2B
SCHEMBL6151785 0.81 ALDH1A1 (0.64) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL30808004 0.80 ALDH1A1 (0.85) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL198602 0.80 ALDH1A1 (0.85) ALDH1A1TSHRTDP1SMN1; SMN2MAPT
SCHEMBL5718338 0.80 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTKAT2BPOLB
Hydrochloric Acid SCHEMBL9820092 0.79 ALDH1A1 (0.83) ALDH1A1TSHRTDP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 — — EP disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 — — EP disclosed
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