SCHEMBL11326993

SCHEMBL11326993

O=S(=O)(O)C(c1ccccc1)(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
ACP3 P15309 2/20 0.42
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
PTPN1 P18031 1/20 0.38
CA1 P00915 1/20 0.38

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
Benzene SCHEMBL27652672 0.82 ACP3 (0.44) KIF11ACP3CYP1A2HSD17B10F2
SCHEMBL35772 0.82 KEAP1 (0.43) KIF11ACP3CYP1A2HSD17B10F2
SCHEMBL29763080 0.82 KEAP1 (0.43) KIF11ACP3CYP1A2HSD17B10F2
SCHEMBL11651931 0.80 KEAP1 (0.42) KIF11ACP3CYP1A2HSD17B10F2
SCHEMBL11606350 0.80 KEAP1 (0.42) KIF11ACP3CYP1A2HSD17B10F2
SCHEMBL1719758 0.80 KEAP1 (0.42) KIF11ACP3CYP1A2HSD17B10F2
SCHEMBL7031794 0.77 CYP1A2 (0.46) CYP2C19CYP1A2CYP2D6HSD17B10HIF1A
SCHEMBL23653950 0.75 KCNN4 (0.48) KIF11CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3871886 0.75 MEN1 (0.44) KIF11ACP3CYP1A2HSD17B10HPGD
SCHEMBL11149740 0.75 CA1 (0.44) KIF11ACP3CYP1A2HSD17B10F2

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-4270236-A Process for the dyeing of fibre material CIBA-GEIGY CORPORATION (US) 1981-06-02 US claimed
US-4270236-A Process for the dyeing of fibre material CIBA-GEIGY CORPORATION (US) 1981-06-02 US disclosed