SCHEMBL11524716

SCHEMBL11524716

N#CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
HDAC3 O15379 7/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GHSR Q92847 1/20 0.37
HDAC1 Q13547 4/20 0.37
CASR P41180 1/20 0.35
CA4 P22748 1/20 0.35
EPHX1 P07099 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
SCHEMBL11690330 0.86 NPC1 (0.45) RAB9AHDAC3CA12CA1CA2
SCHEMBL11522204 0.85 POLB (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL11644543 0.83 KMT2A (0.43) RAB9AHDAC3MEN1KMT2AALDH1A1
SCHEMBL11519775 0.81 BDKRB1 (0.46) MEN1KMT2ACA12CA1CA2
SCHEMBL11518679 0.80 DHODH (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL11642876 0.78 CA12 (0.42) HDAC3CA12CA1CA2CA9
SCHEMBL11788004 0.78 HDAC3 (0.43) RAB9AHDAC3ALDH1A1HDAC1EPHX1
SCHEMBL11648352 0.77 RAB9A (0.40) RAB9AHDAC3MEN1KMT2AALDH1A1
SCHEMBL11648011 0.77 HDAC3 (0.41) HDAC3MEN1KMT2AALDH1A1HDAC1
SCHEMBL11640906 0.77 RAB9A (0.41) RAB9AHDAC3MEN1KMT2AALDH1A1

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-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed