SCHEMBL5795210

SCHEMBL5795210

O=c1c(CCc2ccccc2)c(-c2ccccc2O)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 2/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ CALM1 P0DP23 1/20 0.47
▸ AR P10275 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MAOA P21397 2/20 0.46
▸ PPARG P37231 1/20 0.45

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
SCHEMBL2364536 0.82 KDM4E (0.45) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL2428081 0.79 NMUR2 (0.47) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL290080 0.78 NMUR2 (0.71) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL31675811 0.78 NMUR2 (0.71) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL7047704 0.77 IKBKB (0.59) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL1423153 0.75 NMUR2 (0.54) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL13049683 0.74 AKR1C3 (0.46) NMUR2MEN1CYP3A4KMT2AKDM4E
SCHEMBL5795794 0.73 ABCB1 (0.51) MEN1CYP3A4KMT2AKDM4EALOX15
SCHEMBL7354775 0.72 NQO1 (0.75) MEN1CYP3A4KMT2AMAPK1TP53
SCHEMBL15328698 0.71 CA12 (0.52) NMUR2MEN1CYP3A4KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006042007-A2 CHROMENONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO claimed
WO-2006042007-A2 CHROMENONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
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