SCHEMBL10963452

SCHEMBL10963452

CN(c1ccccc1)c1cc(NCc2ccccc2)c(C#N)cc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 7/20 0.42
▸ CA1 P00915 7/20 0.42
▸ CA2 P00918 7/20 0.42
▸ CA3 P07451 6/20 0.42
▸ CA6 P23280 6/20 0.42
▸ CA7 P43166 6/20 0.42
▸ CA13 Q8N1Q1 6/20 0.42
▸ CA14 Q9ULX7 6/20 0.42
▸ CA9 Q16790 6/20 0.42
▸ CA5A P35218 5/20 0.42
▸ CA5B Q9Y2D0 5/20 0.42
▸ PRKACA P17612 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3A P49840 1/20 0.41

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
SCHEMBL10962587 0.86 ALDH1A1 (0.50) CISD1KDM4ETSHRHPGDHSD17B10
SCHEMBL10962960 0.86 CISD1 (0.50) CISD1KDM4ETSHRHSD17B10CLK4
SCHEMBL10962539 0.84 CISD1 (0.66) CISD1KDM4EHPGDHSD17B10CA12
SCHEMBL11217820 0.82 CISD1 (0.48) CISD1CA12CA1CA2CA3
SCHEMBL11381881 0.77 CA1 (0.51) CISD1CA12CA1CA2CA3
SCHEMBL11075618 0.74 CISD1 (0.39) CISD1CA12CA1CA2CA3
SCHEMBL11075622 0.74 CISD1 (0.39) CISD1CA12CA1CA2CA3
SCHEMBL11115185 0.74 CISD1 (0.39) CISD1CA12CA1CA2CA3
Sulfuric Acid SCHEMBL11157508 0.73 CA1 (0.50) CISD1CA12CA1CA2CA3
SCHEMBL11075640 0.72 ALDH1A1 (0.33) CISD1KDM4EHPGDCA2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056970-B1 ANTHRANILIC ACIDS SUBSTITUTED BY BASIC GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 — — EP disclosed
US-4478843-A 5-Phenyltetrazoles and their use as salidiuretics HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-23 — — US disclosed
EP-0051816-B1 5-PHENYLTETRAZOLES SUBSTITUTED BY BASIC GROUPS, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 — — EP disclosed
US-4406895-A Base-substituted anthranilic acids, a process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-27 — — US disclosed
EP-0051816-A1 5-Phenyltetrazoles substituted by basic groups, method for their preparation and their use as drugs HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-19 — — EP disclosed
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