SCHEMBL11720483

SCHEMBL11720483

Cc1ccc(S(=O)(=O)OCCn2c(-c3ncc([N+](=O)[O-])n3C)nc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ LMNA P02545 5/20 0.41
▸ TSHR P16473 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PKM P14618 2/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL11723310 0.81 GLA (0.46) ALDH1A1LMNAKDM4EHSD17B10NPSR1
SCHEMBL11725390 0.80 ALDH1A1 (0.52) ALDH1A1LMNATSHRKDM4EKDR
SCHEMBL11727356 0.80 ALDH1A1 (0.45) ALDH1A1LMNATSHRGAAKDR
SCHEMBL11724229 0.78 ALDH1A1 (0.49) ALDH1A1LMNATSHRKDM4ERAB9A
SCHEMBL11725307 0.78 POLB (0.46) ALDH1A1KDM4EKDRRAB9AKMT2A
SCHEMBL11722066 0.77 LMNA (0.43) ALDH1A1LMNATSHRKDM4EHSD17B10
SCHEMBL11723851 0.77 ALDH1A1 (0.51) ALDH1A1LMNATSHRKDM4ERAB9A
SCHEMBL11717303 0.77 ALDH1A1 (0.51) ALDH1A1LMNATSHRKDM4ERAB9A
SCHEMBL9232636 0.77 CA1 (0.70) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL11724250 0.77 POLB (0.45) ALDH1A1KDM4EKDRRAB9AKMT2A

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-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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