SCHEMBL11842829

SCHEMBL11842829

N#Cc1cccc(S(=O)(=O)Oc2ccc(N)c(N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.45
▸ CNR2 P34972 1/20 0.43
▸ P2RY2 P41231 1/20 0.42
▸ GPR17 Q13304 1/20 0.42
▸ ALPL P05186 2/20 0.41
▸ ALPI P09923 1/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CTSG P08311 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ P2RX7 Q99572 4/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ STS P08842 1/20 0.36
▸ ACLY P53396 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
SCHEMBL11458760 0.89 P2RY2 (0.50) PGRCNR2P2RY2GPR17ALPL
SCHEMBL11851786 0.84 ALPL (0.48) PGRCNR2P2RY2GPR17ALPL
SCHEMBL11841874 0.79 TDP1 (0.56) ALPLALPICA1CA2CA9
SCHEMBL11840565 0.78 PGR (0.42) PGRP2RY2GPR17CA1CA2
SCHEMBL11089561 0.78 GPR17 (0.43) PGRP2RY2GPR17CA1CA2
SCHEMBL11844362 0.78 F2 (0.53) P2RY2GPR17
SCHEMBL11843618 0.78 TDP1 (0.49) PGRP2RY2GPR17
SCHEMBL11844319 0.77 LMNA (0.49) PGRCNR2GPR17CA1CA2
SCHEMBL11458590 0.77 ALPL (0.46) P2RY2GPR17ALPLALPIP2RX7
SCHEMBL11850328 0.75 CA1 (0.46) PGRGPR17CA1CA2CA9

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-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US disclosed
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