SCHEMBL6573435

SCHEMBL6573435

COCCNc1ccc(N)c(-c2cc(OC)ccc2OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
GAA P10253 2/20 0.41
DHFR P00374 2/20 0.38
KCNH3 Q9ULD8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRA2 P47869 7/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
HDAC4 P56524 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
SCHEMBL8107830 0.92 GABRG2 (0.38) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6572622 0.87 ALDH1A1 (0.42) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6570699 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4KCNH3KDM4ETDP1
SCHEMBL6572041 0.83 GAA (0.47) MAPTALDH1A1GAAKCNH3KDM4E
SCHEMBL6574960 0.82 DHFR (0.38) MAPTALDH1A1GAADHFRKDM4E
SCHEMBL6571911 0.81 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6570805 0.80 CYP1A2 (0.46) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6574643 0.79 PTGER4 (0.40) MAPTALDH1A1CYP3A4GAAKCNH3
SCHEMBL6573021 0.79 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL8665708 0.79 GAA (0.47) MAPTALDH1A1MEN1KMT2ACYP3A4

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed