SCHEMBL11042111

SCHEMBL11042111

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 7/20 0.48
▸ CA1 P00915 7/20 0.48
▸ CA2 P00918 7/20 0.48
▸ CA4 P22748 6/20 0.46
▸ TDP2 O95551 1/20 0.45
▸ RORC P51449 2/20 0.45
▸ USP2 O75604 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LIMK1 P53667 1/20 0.39
▸ LIMK2 P53671 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ POLB P06746 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
SCHEMBL7769093 0.87 CA12 (0.46) CA12CA1CA2CA4RORC
SCHEMBL11660111 0.86 CA12 (0.43) CA12CA1CA2CA4TDP2
SCHEMBL8055910 0.83 MEN1 (0.47) CA12CA1CA2USP2HSD17B10
SCHEMBL11212081 0.79 CYP2C19 (0.44) CA12CA1CA2RORCUSP2
SCHEMBL11208914 0.79 ALDH1A1 (0.41) CA12CA1CA2CA4USP2
SCHEMBL10795140 0.77 HSD17B10 (0.48) CA12CA1CA2TDP2USP2
SCHEMBL11681528 0.77 LIMK1 (0.41) CA12CA1CA2CA4TDP2
SCHEMBL11209028 0.77 KCNH2 (0.41) CA12CA1CA2CA4RORC
SCHEMBL1970472 0.76 MMP9 (0.51) CA12CA1CA2CA4MEN1
SCHEMBL2323987 0.76 USP2 (0.53) USP2HSD17B10MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 — — US disclosed
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