SCHEMBL6683852

SCHEMBL6683852

C=Cc1cccc(/C=C/c2cccc(N)c2C=C)c1C=C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NFE2L2 Q16236 1/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3CA P42336 1/20 0.30

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
SCHEMBL2795744 0.92 ALDH1A1 (0.39) IMPDH2ALDH1A1CYP3A4TSHRHPGD
SCHEMBL30489441 0.92 ALDH1A1 (0.39) IMPDH2ALDH1A1CYP3A4TSHRHPGD
Styrene SCHEMBL3805025 0.81 ALDH1A1 (0.52) IMPDH2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL18301 0.80 ALDH1A1 (0.48) ALDH1A1NFE2L2TSHRTDP1
SCHEMBL14279772 0.78 ALDH1A1 (0.33) ALDH1A1CYP3A4TSHRHPGDHSD17B10
Benzene SCHEMBL3430618 0.78 ALDH1A1 (0.46) ALDH1A1NFE2L2TSHRTDP1
SCHEMBL28917788 0.78 ALDH1A1 (0.46) ALDH1A1NFE2L2TSHRTDP1
SCHEMBL18043787 0.76 NFE2L2 (0.48) ALDH1A1NFE2L2TSHR
SCHEMBL313872 0.76 NFE2L2 (0.48) ALDH1A1NFE2L2TSHR
SCHEMBL8440886 0.75 ALDH1A1 (0.50) ALDH1A1NFE2L2TSHRHPGDHSD17B10

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
WO-2004031335-A1 LIQUID DETERGENT COMPOSITIONS FOR LAUNDERING COLORED FABRICS THE PROCTER & GAMBLE COMPANY (US) 2004-04-15 WO disclosed
US-20040038852-A1 Liquid detergent compositions for laundering colored fabrics THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed