SCHEMBL7601969

SCHEMBL7601969

COC1=C(c2cccn2C)C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.56
▸ ALDH1A1 P00352 11/20 0.56
▸ MITF O75030 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ SMN1; SMN2 Q16637 9/20 0.53
▸ RAB9A P51151 7/20 0.53
▸ POLB P06746 7/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ TP53 P04637 6/20 0.53
▸ LMNA P02545 5/20 0.53
▸ HPGD P15428 5/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ CDC25A P30304 3/20 0.53
▸ CDC25B P30305 3/20 0.53
▸ MAP2K7 O14733 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL7602280 0.80 MAPT (0.51) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL7600243 0.80 ALDH1A1 (0.45) MAPTALDH1A1MITFNPSR1SMN1; SMN2
SCHEMBL7602213 0.79 AURKA (0.46) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL7599289 0.77 ALDH1A1 (0.51) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL571557 0.72 MAPT (1.00) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL29545010 0.72 MAPT (1.00) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL9628178 0.72 MAPT (1.00) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL29079807 0.70 APP (0.46) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL20100968 0.69 MAPT (0.62) MAPTALDH1A1MITFHTTNPSR1
SCHEMBL7599738 0.69 BACE1 (0.51) MAPTALDH1A1HTTNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861830-B1 Use of 1,4-naphthoquinone and 1,4-dihydroxynaphthalene pyrrole derivatives for dyeing keratinous material, compounds and compositions containing them OREAL (FR) 2002-12-18 — — EP claimed
US-6022379-A HAIR DYE L'OREAL (FR) 2000-02-08 — — US claimed
US-6022379-A HAIR DYE L'OREAL (FR) 2000-02-08 — — US disclosed
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