SCHEMBL7769093

SCHEMBL7769093

N#CCCN(CCc1ccc(S(=O)(=O)F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.46
▸ CA1 P00915 7/20 0.46
▸ CA2 P00918 7/20 0.46
▸ CA4 P22748 6/20 0.44
▸ RORC P51449 2/20 0.42
▸ F2 P00734 2/20 0.42
▸ TMPRSS4 Q9NRS4 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ LIMK1 P53667 1/20 0.37
▸ LIMK2 P53671 1/20 0.37

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
SCHEMBL11042111 0.87 CA12 (0.48) CA12CA1CA2CA4RORC
SCHEMBL8055910 0.83 MEN1 (0.47) CA12CA1CA2TSHRUSP2
SCHEMBL8530542 0.81 CNR2 (0.52) CA12CA1CA2CA4RORC
SCHEMBL11208914 0.79 ALDH1A1 (0.41) CA12CA1CA2CA4USP2
SCHEMBL11212081 0.79 CYP2C19 (0.44) CA12CA1CA2RORCUSP2
SCHEMBL11660111 0.79 CA12 (0.43) CA12CA1CA2CA4RORC
SCHEMBL11209028 0.77 KCNH2 (0.41) CA12CA1CA2CA4RORC
SCHEMBL2323987 0.76 USP2 (0.53) TSHRUSP2HSD17B10MEN1KMT2A
SCHEMBL11213571 0.76 KCNH2 (0.47) CYP1A2CYP2D6TSHRMEN1KMT2A
SCHEMBL10795140 0.75 HSD17B10 (0.48) CA12CA1CA2USP2HSD17B10

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
EP-0740690-B1 MONOAZO DYES CONTAINING A FLUOROSULPHONYL GROUP AND USE THEREOF SYNGENTA LTD (GB) 2001-06-20 — — EP disclosed
US-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 — — US disclosed
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