SCHEMBL9638966

SCHEMBL9638966

CNN(NC)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.67
▸ RAB9A P51151 4/20 0.59
▸ PKM P14618 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ NPC1 O15118 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NLRP1 Q9C000 1/20 0.49
▸ EPHX1 P07099 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL10946831 0.83 TSHR (0.70) TSHRRAB9APKMALDH1A1NPC1
Monuron SCHEMBL8539289 0.80 TSHR (1.00) TSHRRAB9APKMALDH1A1NPC1
SCHEMBL8613806 0.80 HSD17B10 (0.54) TSHRRAB9AALDH1A1NPC1SMN1; SMN2
Monuron SCHEMBL9370512 0.80 TSHR (1.00) TSHRRAB9APKMALDH1A1NPC1
Monuron SCHEMBL106717 0.80 TSHR (1.00) TSHRRAB9APKMALDH1A1NPC1
SCHEMBL11860609 0.78 TSHR (0.75) TSHRRAB9APKMALDH1A1NPC1
SCHEMBL11409866 0.77 TSHR (0.72) TSHRRAB9APKMALDH1A1NPC1
Monuron SCHEMBL21777086 0.77 TSHR (0.83) TSHRRAB9APKMALDH1A1NPC1
SCHEMBL19707227 0.76 TSHR (0.70) TSHRRAB9APKMALDH1A1NPC1
SCHEMBL11432206 0.76 TSHR (0.65) TSHRRAB9APKMALDH1A1NPC1

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-5086088-A Photopolymerizable mixture of acrylic ester and copolymerizable monomer with an epoxy resin, photoinitiator, and curing agent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-02-04 — — US disclosed
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