SCHEMBL11282602

SCHEMBL11282602

CCC(O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 3/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HSPB1 P04792 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ GPR35 Q9HC97 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 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
SCHEMBL7907598 0.84 MEN1 (0.48) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL11583868 0.84 XDH (0.49) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL9638881 0.83 ALDH1A1 (0.50) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL10788442 0.82 TTR (0.49) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL16540468 0.80 TTR (0.47) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL29749825 0.80 PDK1 (0.58) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL6809251 0.80 PDK1 (0.58) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL5802973 0.79 MAPT (0.52) TTRMEN1KMT2AALDH1A1MAPT
SCHEMBL3911316 0.79 TTR (0.44) TTRMEN1KMT2AHSPB1ALDH1A1
SCHEMBL13681704 0.78 MAPT (0.54) TTRMEN1KMT2AALDH1A1MAPT

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
US-4329504-A COUPLERS FOR DYES, HAIR DYES SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-11 — — US disclosed
US-4259261-A OXIDATION COLOR DYES FOR HAIR L'OREAL (FR) 1981-03-31 — — US disclosed
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