SCHEMBL11545420

SCHEMBL11545420

CC1CCN(c2cc(C(=O)O)cc(S(N)(=O)=O)c2Sc2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ TP53 P04637 1/20 0.36
▸ TBXA2R P21731 2/20 0.36
▸ PTGDR2 Q9Y5Y4 5/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CTRC Q99895 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35

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
SCHEMBL11547525 0.91 ALDH1A1 (0.41) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11540420 0.91 ALDH1A1 (0.47) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11547152 0.85 KDM4E (0.53) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11543563 0.82 KDM4E (0.60) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11545605 0.81 ALDH1A1 (0.45) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11543283 0.81 KDM4E (0.40) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11542637 0.78 ALDH1A1 (0.48) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11543406 0.77 ALDH1A1 (0.45) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11542663 0.77 KDM4E (0.53) KDM4ELMNAHSD17B10USP2ALDH1A1
SCHEMBL11543553 0.76 ALDH1A1 (0.49) KDM4ELMNAHSD17B10USP2ALDH1A1

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
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 — — US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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