SCHEMBL11045131

SCHEMBL11045131

Cc1cc2c(C)nc(NC(=O)NS(=O)(=O)c3cccc4cccc(Cl)c34)nc2o1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL10956496 0.90 NPC1 (0.52) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL10957026 0.83 ALDH1A1 (0.41) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL10955488 0.83 MAPT (0.43) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL11038838 0.81 KDM4E (0.47) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL10953618 0.81 NPC1 (0.44) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL11045452 0.81 MAPT (0.40) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL10956577 0.80 NPC1 (0.41) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL11043929 0.80 KDM4E (0.48) NPC1ALDH1A1KDM4ECA12CA1
SCHEMBL10957138 0.80 BRD4 (0.44) NPC1ALDH1A1KDM4ECA1CA9
SCHEMBL10951768 0.79 MEN1 (0.44) NPC1CA1MAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US claimed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP claimed
US-4460404-A HERBICIDES PLANT GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-07-17 US disclosed
US-4452627-A HERBICIDE, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed